SCHEMBL1474939

SCHEMBL1474939

NC(=O)c1c[nH]c2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.58
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 2/20 0.49
HAT1 O14929 1/20 0.43
EP300 Q09472 1/20 0.43
CAMKK2 Q96RR4 1/20 0.42
CYP2C19 P33261 1/20 0.42
PSMD14 O00487 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PIM1 P11309 2/20 0.41
PIM3 Q86V86 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
LIMK1 P53667 1/20 0.41
TET2 Q6N021 1/20 0.40
TET1 Q8NFU7 1/20 0.40
PLK4 O00444 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
SCHEMBL30436129 1.00 PARP1 (0.58) PARP1ALDH1A1ATMKDM4EHAT1
SCHEMBL6348423 0.89 PARP1 (0.50) PARP1ALDH1A1ATMKDM4EHAT1
SCHEMBL3889448 0.87 PARP1 (0.47) PARP1ALDH1A1ATMKDM4EHAT1
SCHEMBL2816680 0.84 TET2 (0.51) PARP1ALDH1A1KDM4EHAT1EP300
SCHEMBL29600892 0.84 TET2 (0.51) PARP1ALDH1A1KDM4EHAT1EP300
Hydrochloric Acid SCHEMBL2040536 0.83 TET2 (0.50) PARP1ALDH1A1KDM4EHAT1EP300
SCHEMBL29601281 0.83 PBRM1 (0.54) PARP1ALDH1A1KDM4EHAT1EP300
SCHEMBL12479995 0.83 PBRM1 (0.54) PARP1ALDH1A1KDM4EHAT1EP300
SCHEMBL6432355 0.81 CYP2C19 (0.49) PARP1ALDH1A1KDM4EHAT1EP300
Potassium Ion SCHEMBL7064340 0.80 CYP2C19 (0.46) PARP1ALDH1A1ATMKDM4EHAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN claimed
CN-109153651-A amido-substituted cyclohexane derivatives 拜耳制药股份公司 2019-01-04 CN claimed
CN-108558867-A Pyrrolopyridine or pyrazolo pyridine derivatives 豪夫迈·罗氏有限公司 2018-09-21 CN claimed
WO-2018078009-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO claimed
EP-3052496-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2016-08-10 EP claimed
EP-3039024-A1 PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-07-06 EP claimed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 WO claimed
WO-2015028483-A1 PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-05 WO claimed
EP-2699576-A1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL - COA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2014-02-26 EP claimed
WO-2012143813-A1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL - COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-26 WO claimed
EP-2470531-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP claimed
WO-2023082044-A1 5-FORMYL HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF 暨南大学 2023-05-19 WO disclosed
CN-116018138-A Substituted 1H-imidazo [1,2-b ] pyrazole-3-carboxamides as inhibitors of brunauer tyrosine kinase 河南知微生物医药有限公司 2023-04-25 CN disclosed
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents VIIV HEALTHCARE UK (NO. 4) LIMITED 2022-06-28 US disclosed
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
US-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 US disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 WO disclosed
US-5023265-A Antiinflammatory agent; inhibits both 5-lipoxygenase and cyclooxygenase; rheumatoid arthritis, bursitis, tendonitis, gout; side effect reduction SCHERING CORPORATION (US) 1991-06-11 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 (3 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 PARP1 278/4885ALDH1A1 1054/4885ATM 4759/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 PARP1 278/4885ALDH1A1 1054/4885ATM 4759/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 PARP1 2663/4885ALDH1A1 3257/4885ATM 4802/4885

“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.