SCHEMBL3377342

SCHEMBL3377342

Cc1ncc(Cn2ncc3cc(N)ccc32)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
CSNK1A1 P48729 1/20 0.43
GSK3A P49840 1/20 0.43
LIMK1 P53667 1/20 0.43
IKBKE Q14164 1/20 0.43
MAPK14 Q16539 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
HSP90AB1 P08238 1/20 0.37
PDE2A O00408 1/20 0.36
ERBB2 P04626 6/20 0.35
EGFR P00533 5/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3380368 0.80 GLS (0.56) SMN1; SMN2PARGKDM4E
SCHEMBL4202003 0.78 PRKCI (0.43) HTR2AHTR2CEGFRSMN1; SMN2PARG
SCHEMBL213305 0.75 CHEK1 (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3377324 0.74 ERBB2 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3321902 0.73 HTR2A (0.49) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3376567 0.73 CHEK1 (0.40) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3373609 0.73 ERBB2 (0.46) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL870390 0.73 RECQL (0.66) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29992643 0.73 RECQL (0.66) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29200969 0.72 CHEK1 (0.50) 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 5 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
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 CHEK1 195/4885AURKA 193/4885DAPK3 71/4885

“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.