SCHEMBL3376309

SCHEMBL3376309

Fc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cscn4)c3)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.70
EGFR P00533 2/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 1/20 0.49
RGS12 O14924 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
RAF1 P04049 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL3380050 0.89 ERBB2 (0.70) ERBB2EGFRKCNH2MEN1RGS12
SCHEMBL3377757 0.88 ERBB2 (0.78) ERBB2EGFRKCNH2
SCHEMBL3375336 0.85 ERBB2 (0.69) ERBB2EGFRKCNH2MEN1RGS12
SCHEMBL3609780 0.85 ERBB2 (0.52) ERBB2EGFRERBB4
SCHEMBL3377629 0.84 ERBB2 (0.71) ERBB2EGFR
SCHEMBL3379126 0.84 ERBB2 (0.89) ERBB2EGFRKCNH2
SCHEMBL3373665 0.84 ERBB2 (0.89) ERBB2EGFRKCNH2
Hydrochloric Acid SCHEMBL4029419 0.84 ERBB2 (0.70) ERBB2EGFR
SCHEMBL4072543 0.83 ERBB2 (0.71) ERBB2EGFRKCNH2
SCHEMBL3379089 0.83 ERBB2 (0.69) ERBB2EGFRKCNH2MEN1RGS12

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 13 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-20090221616-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1877398-B1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
US-20090137615-A1 INDAZOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2009-05-28 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
EP-1877398-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-16 EP disclosed
EP-1858884-A1 INDAZOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-11-28 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
WO-2006117523-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-11-09 WO disclosed
WO-2006092573-A1 INDAZOLYLAMINO QIONAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-09-08 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 (3 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-20090221616-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885KCNH2 4222/4885
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 1/4885EGFR 5/4885KCNH2 3904/4885
US-20090137615-A1 INDAZOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOUR AGENTS ERBB2, ABL1, ERBB3 ERBB2 1/4885EGFR 5/4885KCNH2 3541/4885

“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.