SCHEMBL41713

SCHEMBL41713

Nc1ncc2ncccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PDPK1 O15530 1/20 0.45
MAPT P10636 4/20 0.44
HSP90AA1 P07900 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSP90AB1 P08238 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DYRK1A Q13627 2/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
CLK1 P49759 1/20 0.42
MET P08581 1/20 0.41
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL30523855 0.77 ALDH1A1 (0.52) ALDH1A1MAPTHSP90AA1KDM4EHSP90AB1
SCHEMBL7027758 0.76 DYRK1A (0.57) ALDH1A1MAPTHSP90AA1KDM4EHSP90AB1
SCHEMBL30112896 0.75 CLK1 (0.43) ALDH1A1PDPK1HSP90AA1KDM4EDYRK1A
SCHEMBL19044349 0.74 ALDH1A1 (0.48) ALDH1A1MAPTHSP90AA1KDM4EHSP90AB1
SCHEMBL2269742 0.74 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2MET
SCHEMBL11024480 0.74 ALDH1A1 (0.48) ALDH1A1MAPTHSP90AA1KDM4EHSP90AB1
SCHEMBL15638042 0.74 ALDH1A1 (0.48) ALDH1A1MAPTHSP90AA1KDM4EHSP90AB1
SCHEMBL3952706 0.74 ALDH1A1 (0.48) ALDH1A1MAPTHSP90AA1KDM4EHSP90AB1
SCHEMBL31029246 0.74 ALDH1A1 (0.48) ALDH1A1MAPTHSP90AA1KDM4EHSP90AB1
SCHEMBL31391337 0.74 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ECYP3A4PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336606-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI ZELGEN PHARMA.TECH CO., LTD. (CN) 2024-10-10 US claimed
EP-4234548-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2023-08-30 EP claimed
CN-112457309-B Phenyl-substituted pyrido-pyrimidinamine compound and application thereof as antibacterial drug 扬州工业职业技术学院 2023-03-17 CN claimed
CN-115611865-A Substituted benzo or pyrido pyrimidine amine inhibitor and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2023-01-17 CN claimed
CN-114907324-A Substituted benzo or pyrido pyrimidine amine inhibitor and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2022-08-16 CN claimed
WO-2022083657-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-04-28 WO claimed
CN-114380805-A Substituted benzo or pyrido pyrimidine amine inhibitor and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2022-04-22 CN claimed
CN-112457309-A Phenyl-substituted pyrido-pyrimidinamine compound and application thereof as antibacterial drug 扬州工业职业技术学院 2021-03-09 CN claimed
US-20120178180-A1 METHODS FOR THE IDENTIFICATION OF ZAP-70 INTERACTING MOLECULES AND FOR THE PURIFICATION OF ZAP-70 CELLZOME GMBH (DE) 2012-07-12 US claimed
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP claimed
WO-2007137867-A1 METHODS FOR THE IDENTIFICATION OF ZAP-70 INTERACTING MOLECULES AND FOR THE PURIFICATION OF ZAP-70 CELLZOME AG (DE) 2007-12-06 WO claimed
EP-1862802-A1 Methods for the identification of ZAP-70 interacting molecules and for the purification of ZAP-70 CELLZOME AG (DE) 2007-12-05 EP claimed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP claimed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US claimed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 WO claimed
US-20250325572-A1 TREATMENTS FOR PAIN SEVENLESS THERAPEUTICS LTD (GB) 2025-10-23 US disclosed
EP-4598538-A1 NEW TREATMENTS FOR PAIN Sevenless Therapeutics Limited (GB) 2025-08-13 EP disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 WO disclosed
WO-1996015128-A2 6-ARYL PYRIDO[2,3-d]PYRIMIDINES AND NAPHTHYRIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-05-23 WO disclosed
CN-87103904-A Weedicide 1988-02-10 CN 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-20240336606-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, SOS1, WEE2 ALDH1A1 637/4885PDPK1 517/4885MAPT 4191/4885
US-20250325572-A1 TREATMENTS FOR PAIN OPRL1, ACHE, OPRK1 ALDH1A1 1092/4885PDPK1 3680/4885MAPT 851/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ALDH1A1 720/4885PDPK1 2307/4885MAPT 2111/4885

“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.