SCHEMBL3375418

SCHEMBL3375418

Nc1ccc2c(cnn2Cc2ccc(F)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.49
GRIN2B Q13224 10/20 0.49
ERBB2 P04626 3/20 0.41
EGFR P00533 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
RECQL P46063 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
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

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
SCHEMBL3319948 0.85 ERBB2 (0.50) ERBB2EGFRHTR2AHTR2CRECQL
SCHEMBL5441306 0.84 LMNA (0.47) ERBB2EGFRRECQLCHEK1AURKA
SCHEMBL3321902 0.82 HTR2A (0.49) GRIN1GRIN2BERBB2EGFRHTR2A
SCHEMBL3378095 0.79 GLS (0.57) GRIN1GRIN2B
SCHEMBL29992643 0.79 RECQL (0.66) ERBB2EGFRRECQLCHEK1AURKA
SCHEMBL870390 0.79 RECQL (0.66) ERBB2EGFRRECQLCHEK1AURKA
SCHEMBL215702 0.78 EGFR (0.53) ERBB2EGFRRECQL
SCHEMBL30729935 0.78 EGFR (0.53) ERBB2EGFRRECQL
SCHEMBL4192079 0.78 HTR6 (0.48) ERBB2EGFRCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL1353996 0.77 EGFR (0.52) ERBB2EGFR

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 GRIN1 1833/4885GRIN2B 2593/4885ERBB2 1/4885

“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.