SCHEMBL3377324

SCHEMBL3377324

Nc1ccc2c(cnn2Cc2nccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.43
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3A P49840 1/20 0.40
LIMK1 P53667 1/20 0.40
IKBKE Q14164 1/20 0.40
MAPK14 Q16539 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
EGFR P00533 1/20 0.39
CYP2C19 P33261 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NR3C1 P04150 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35

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
SCHEMBL3375263 0.78 GLS (0.58) ERBB2EGFRPTGS1PTGS2
SCHEMBL4197546 0.78 TLR7 (0.43) EGFRCYP2C19TLR7
SCHEMBL5057167 0.77 CHEK1 (0.44) ERBB2CHEK1AURKADAPK3CSNK1A1
SCHEMBL17440656 0.77 KMO (0.48) ERBB2EGFRPTGS1PTGS2NR3C1
SCHEMBL4988221 0.77 CNR1 (0.41) ERBB2CYP2C19NR3C1TLR7
SCHEMBL3324092 0.75 KDM4E (0.49) ERBB2CHEK1AURKADAPK3CSNK1A1
SCHEMBL31661539 0.75 KDM4E (0.49) ERBB2CHEK1AURKADAPK3CSNK1A1
SCHEMBL938232 0.75 ERBB2 (0.53) ERBB2CHEK1AURKADAPK3CSNK1A1
SCHEMBL3373609 0.74 ERBB2 (0.46) ERBB2CHEK1AURKADAPK3CSNK1A1
SCHEMBL3377342 0.74 CHEK1 (0.43) ERBB2CHEK1AURKADAPK3CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744446-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-06-25 CN disclosed
CN-104744446-A Hetero-aromatic compound and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-07-01 CN disclosed
EP-1928861-B1 4- (IH-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
US-7820683-B2 4-(1H-indazol-5-yl-amino)-quinazoline compounds as erbB receptor tyrosine kinase inhibitors for the treatment of cancer ASTRAZENECA AB (SE) 2010-10-26 US disclosed
US-20090048251-A1 4-(1H-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-02-19 US disclosed
CN-101273033-A 4- (iH-indazol-s-yl-amino)-quinazoline compounds as ERBB receptor tyrosine kinase inhibitors for the treatment of cancer ASTRAZENECA AB (SE) 2008-09-24 CN disclosed
EP-1928861-A1 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-06-11 EP disclosed
WO-2007034144-A1 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-03-29 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-20090048251-A1 4-(1H-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 ERBB2 1/4885CHEK1 195/4885AURKA 193/4885

“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.