SCHEMBL785406

SCHEMBL785406

Cc1cc(Nc2nc(Cl)nc3ccccc23)n[nH]1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.70
GSK3B P49841 12/20 0.70
AURKB Q96GD4 9/20 0.70
SRC P12931 7/20 0.70
EIF2AK2 P19525 1/20 0.70
GSK3A P49840 1/20 0.70
NTRK1 P04629 1/20 0.66
PLK4 O00444 1/20 0.62
PAK4 O96013 1/20 0.62

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
SCHEMBL30147253 1.00 AURKA (0.70) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL22054562 0.85 AURKA (0.71) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL30147254 0.85 AURKA (0.71) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL31471763 0.84 AURKA (0.50) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL25819399 0.84 AURKA (0.51) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL31471743 0.83 AURKA (0.50) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL22054198 0.83 PLK4 (0.62) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL22055218 0.83 NTRK1 (0.59) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL30147250 0.83 NTRK1 (0.59) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL4073913 0.83 SPAST (0.58) AURKAGSK3BAURKBSRCEIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 WO disclosed
CN-116354938-B Preparation method and application of quinazoline derivatives and analogues thereof 沈阳药科大学 2024-02-20 CN disclosed
WO-2023123883-A1 METHOD FOR PREPARING QUINAZOLINE DERIVATIVE AND ANALOG THEREOF AND USE THEREOF 沈阳药科大学 2023-07-06 WO disclosed
CN-116354938-A Preparation method and application of quinazoline derivatives and analogues thereof 沈阳药科大学 2023-06-30 CN disclosed
CN-116003441-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-25 CN disclosed
CN-115925705-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-07 CN disclosed
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
CN-115667228-A Salt and crystal form of heteroaromatic derivative and preparation method of salt and crystal form 上海翰森生物医药科技有限公司 2023-01-31 CN disclosed
CN-111511738-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-01-20 CN disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 US disclosed
WO-2002022604-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed
WO-2002022607-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed
WO-2002022605-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed
WO-2002022603-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed
WO-2002022601-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 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 (6 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A AURKA 2/4885GSK3B 4/4885AURKB 7/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 AURKA 191/4885GSK3B 461/4885AURKB 291/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885GSK3B 3/4885AURKB 7/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB AURKA 1417/4885GSK3B 32/4885AURKB 584/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885GSK3B 3/4885AURKB 7/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP AURKA 255/4885GSK3B 1/4885AURKB 493/4885

“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.