Sugi Predict

Sugi Predict / Compounds / SCHEMBL536630

SCHEMBL536630

SCHEMBL536630

NCc1cccc(N2CCCC2=O)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.57
▸ CNR2 P34972 1/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ PIM3 Q86V86 2/20 0.40
▸ PIM2 Q9P1W9 2/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22136195 0.86 PARP1 (0.58) PARP1CNR2PIM1PIM3PIM2
SCHEMBL536743 0.85 PARP1 (0.57) PARP1CNR2PIM1PIM3PIM2
SCHEMBL536720 0.85 PARP1 (0.57) PARP1CNR2PIM1PIM3PIM2
SCHEMBL20687962 0.81 PARP1 (0.49) PARP1CNR2PIM1PIM3PIM2
SCHEMBL27828842 0.78 PARP1 (0.51) PARP1CNR2PIM1PIM3PIM2
SCHEMBL25364537 0.76 PARP1 (0.48) PARP1CNR2PIM1PIM3PIM2
SCHEMBL29464219 0.76 PARP1 (0.48) PARP1CNR2PIM1PIM3PIM2
SCHEMBL23967004 0.76 PARP1 (0.48) PARP1CNR2PIM1PIM3PIM2
SCHEMBL19994372 0.76 PARP1 (0.48) PARP1CNR2PIM1PIM3PIM2
SCHEMBL20153301 0.76 RECQL (0.60) PARP1CNR2CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS LIGAND UK DEVELOPMENT LIMITED (GB) 2023-03-30 — — US disclosed
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2022-10-11 — — US disclosed
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2021-04-22 — — US disclosed
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-12-29 — — US disclosed
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2020-06-04 — — US disclosed
US-10538526-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-01-21 — — US disclosed
US-20190031668-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2019-01-31 — — US disclosed
US-10106547-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2018-10-23 — — US disclosed
US-20170342081-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2017-11-30 — — US disclosed
US-9765080-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2017-09-19 — — US disclosed
US-20150291602-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2015-10-15 — — US disclosed
US-8987279-B2 Triazolo [4, 5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2015-03-24 — — US disclosed
CN-102076692-B Triazolo [4,5-D ] pyrimidine derivatives and their use as purine receptor antagonists VERNALIS RESEARCH LTD. (GB) 2014-10-22 — — CN disclosed
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2013-09-19 — — US disclosed
US-8450328-B2 Triazolo[4,5-D]pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2013-05-28 — — US disclosed
EP-2321321-B1 TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS R&D LTD (GB) 2012-02-08 — — EP disclosed
US-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED 2011-07-14 — — US disclosed
CN-102076692-A Triazolo [4,5-D ] pyrimidine derivatives and their use as purine receptor antagonists VERNALIS R&D LTD 2011-05-25 — — CN disclosed
EP-2321321-A1 TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS Vernalis (R&D) Limited (GB) 2011-05-18 — — EP disclosed
WO-2009156737-A1 TRIAZOLO [4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2009-12-30 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10106547-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-20170342081-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-20190031668-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 PARP1 842/4885CNR2 327/4885PIM1 4341/4885
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-10538526-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-20150291602-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 PARP1 842/4885CNR2 327/4885PIM1 4341/4885
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 PARP1 894/4885CNR2 324/4885PIM1 4356/4885
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 PARP1 842/4885CNR2 327/4885PIM1 4341/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.