SCHEMBL427409

SCHEMBL427409

Cn1ncc2ccc(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
CSNK1A1 P48729 1/20 0.45
GSK3A P49840 1/20 0.45
LIMK1 P53667 1/20 0.45
IKBKE Q14164 1/20 0.45
MAPK14 Q16539 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MPO P05164 1/20 0.45
NOTUM Q6P988 1/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CDK8 P49336 2/20 0.43

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
SCHEMBL30431594 1.00 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
Hydrochloric Acid SCHEMBL2481630 0.98 MPO (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL20769904 0.87 CHEK1 (0.41) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL378619 0.84 CHEK1 (0.57) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL30006507 0.84 CHEK1 (0.57) CHEK1AURKADAPK3CSNK1A1GSK3A
Pyrazole SCHEMBL28207901 0.83 CYP1A2 (0.40) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL5343977 0.82 CHEK1 (0.56) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL20769975 0.80 HTR2A (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL217944 0.79 HTR2A (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31039602 0.79 HTR2A (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416948-B1 INDACENE BEARING SULFONYLUREAS AS ANTI-INFLAMMATORY AGENTS UNIV QUEENSLAND (AU) 2024-07-24 EP claimed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US claimed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US claimed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP claimed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US claimed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US claimed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US claimed
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US claimed
EP-4724443-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE Acrivon Therapeutics, Inc. (US) 2026-04-15 EP disclosed
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
US-20250388606-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-25 US disclosed
US-12398154-B2 Azaquinazoline pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2025-08-26 US disclosed
US-12358886-B2 Heterocyclic compounds for use in the treatment of cancer ARTIOS PHARMA LIMITED (GB) 2025-07-15 US disclosed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US disclosed
EP-0047328-B1 1H AND 2H INDAZOLE DERIVATIVES AND MEDICAMENT CONTAINING THEM SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-05-09 EP disclosed
US-4436913-A HYPOTENSIVE AGENTS SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-03-13 US disclosed
WO-1982000824-A1 1H AND 2H INDAZOL DERIVATIVES AND MEDICAMENTS CONTAINING THEM GEISSMANN F 1982-03-18 WO disclosed
EP-0047328-A1 1H and 2H indazole derivatives and medicament containing them SIEGFRIED AKTIENGESELLSCHAFT (CH) 1982-03-17 EP disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (7 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD CHEK1 409/4885AURKA 1005/4885DAPK3 3001/4885
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 CHEK1 4372/4885AURKA 2230/4885DAPK3 1169/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR CHEK1 3237/4885AURKA 1385/4885DAPK3 3551/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD CHEK1 409/4885AURKA 1005/4885DAPK3 3001/4885
US-12398154-B2 Azaquinazoline pan-KRas inhibitors KRAS, NRAS, HRAS CHEK1 371/4885AURKA 1408/4885DAPK3 1021/4885
US-20250388606-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS CHEK1 84/4885AURKA 1089/4885DAPK3 1512/4885
US-12358886-B2 Heterocyclic compounds for use in the treatment of cancer SDHA, DPYD, TP53 CHEK1 77/4885AURKA 455/4885DAPK3 898/4885

“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.