SCHEMBL3376353

SCHEMBL3376353

N#Cc1ccccc1Cn1ncc2cc(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.42
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
RECQL P46063 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
LIMK1 P53667 1/20 0.38
IKBKE Q14164 1/20 0.38
MAPK14 Q16539 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38

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
SCHEMBL3321752 0.80 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2RECQLCHEK1
SCHEMBL3379473 0.80 GLS (0.55) NPBWR1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17044150 0.78 CYP1A2 (0.46) NPBWR1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL870390 0.76 RECQL (0.66) ALDH1A1MAPTSMN1; SMN2CYP1A2RECQL
SCHEMBL29992643 0.76 RECQL (0.66) ALDH1A1MAPTSMN1; SMN2CYP1A2RECQL
SCHEMBL4201771 0.76 ALDH1A1 (0.48) CYP19A1ALDH1A1MAPTSMN1; SMN2NOX4
SCHEMBL17044140 0.75 ALDH1A1 (0.44) NPBWR1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3321530 0.75 PKM (0.42) ALDH1A1MAPTRECQLCHEK1AURKA
SCHEMBL17458868 0.73 NPBWR1 (0.47) NPBWR1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL938232 0.72 ERBB2 (0.53) RECQLCHEK1AURKADAPK3CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPBWR1 1926/4885CYP19A1 1620/4885ALDH1A1 1702/4885

“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.