Sugi Predict

Sugi Predict / Compounds / SCHEMBL16009140

SCHEMBL16009140

SCHEMBL16009140

CC(C)(C)OC(=O)N1CC[C@H](Nc2nc(C(=N)NN)cc3cccc(Cl)c23)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.46
▸ USP30 Q70CQ3 8/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ STS P08842 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ CCNT1 O60563 1/20 0.40

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
SCHEMBL16009139 1.00 BTK (0.46) BTKUSP30PARP1CNR1CNR2
SCHEMBL16008298 0.89 BTK (0.45) BTKUSP30PARP1PIM1PIM2
SCHEMBL16008299 0.89 BTK (0.45) BTKUSP30PARP1PIM1PIM2
SCHEMBL16007993 0.84 CNR1 (0.45) BTKUSP30CNR1CNR2PIK3CD
SCHEMBL16007992 0.84 CNR1 (0.45) BTKUSP30CNR1CNR2PIK3CD
SCHEMBL16008168 0.83 PIK3CD (0.44) PIK3CDSTS
SCHEMBL16008169 0.83 PIK3CD (0.44) PIK3CDSTS
SCHEMBL16008649 0.82 NSD2 (0.46) BTKUSP30PARP1CNR1CNR2
SCHEMBL16008650 0.82 NSD2 (0.46) BTKUSP30PARP1CNR1CNR2
SCHEMBL16008856 0.81 DNMT3A (0.46) BTKUSP30PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 — — US disclosed
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 — — US disclosed
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 — — US disclosed
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 — — US disclosed
EP-3235814-B1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2018-12-12 — — EP disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 — — US disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 — — US disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 — — US disclosed
US-9801872-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-31 — — US disclosed
US-9801872-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-31 — — US disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 — — US disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 — — US disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 — — US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
WO-2014164558-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-09 — — WO disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 — — US disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 — — US disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 — — US 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 (5 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-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885USP30 2954/4885PARP1 410/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885USP30 2954/4885PARP1 410/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885USP30 2954/4885PARP1 410/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885USP30 2954/4885PARP1 410/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 BTK 1/4885USP30 2954/4885PARP1 410/4885

“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.