Sugi Predict

Sugi Predict / Compounds / SCHEMBL9280839

SCHEMBL9280839

SCHEMBL9280839

O=C(C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)C1CC1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.83
▸ TNKS O95271 1/20 0.83
▸ ADORA1 P30542 1/20 0.83
▸ CDK6 Q00534 1/20 0.83
▸ PDE3A Q14432 1/20 0.83
▸ PARP6 Q2NL67 1/20 0.83
▸ PARP15 Q460N3 1/20 0.83
▸ PARP14 Q460N5 1/20 0.83
▸ PARP10 Q53GL7 1/20 0.83
▸ TIPARP Q7Z3E1 1/20 0.83
▸ PARP8 Q8N3A8 1/20 0.83
▸ PARP16 Q8N5Y8 1/20 0.83
▸ PARP12 Q9H0J9 1/20 0.83
▸ TNKS2 Q9H2K2 1/20 0.83
▸ PARP11 Q9NR21 1/20 0.83
▸ PARP2 Q9UGN5 1/20 0.83
▸ PARP4 Q9UKK3 1/20 0.83
▸ PARP3 Q9Y6F1 1/20 0.83
▸ PRAP1 Q96NZ9 1/20 0.72

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
SCHEMBL15204438 0.97 PARP1 (0.84) PARP1TNKSADORA1CDK6PDE3A
Olaparib SCHEMBL426568 0.91 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
Olaparib SCHEMBL29352148 0.91 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
Olaparib SCHEMBL29392087 0.91 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL19569971 0.91 PARP1 (0.90) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL19228908 0.89 PARP1 (0.83) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL15204472 0.88 PARP1 (0.86) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL21499884 0.88 PARP1 (0.81) PARP1TNKSADORA1CDK6PDE3A
Olaparib SCHEMBL28083947 0.88 PARP1 (0.93) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL22852727 0.88 PARP1 (0.98) PARP1TNKSADORA1CDK6PDE3A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646428-B1 HETEROCYCLIC DERIVATIVES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2016-06-01 — — EP disclosed
US-8999985-B2 Substituted phthalazin-1(2H)-ones, preparation processes and medical uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-04-07 — — US disclosed
CN-103237799-B Heterocyclic derivates, preparation processes and medical uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD 2014-08-20 — — CN disclosed
EP-2646428-A1 HETEROCYCLIC DERIVATES PREPARATION PROCESSES AND MEDICAL USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2013-10-09 — — EP disclosed
US-20130224107-A1 HETEROCYCLIC DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2013-08-29 — — US disclosed
CN-103237799-A Heterocyclic derivates, preparation processes and medical uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD 2013-08-07 — — CN disclosed
WO-2012071684-A1 HETEROCYCLIC DERIVATES，PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2012-06-07 — — 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 (1 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-20130224107-A1 HETEROCYCLIC DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF PARP1, PARP3, PARP2 PARP1 1/4885TNKS 14/4885ADORA1 2620/4885

“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.