SCHEMBL3379102

SCHEMBL3379102

Fc1cccc2c1CNC=N2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.34
ADRA2A P08913 1/20 0.33
GRK6 P43250 1/20 0.32
IKBKB O14920 1/20 0.30

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
SCHEMBL4037370 0.74
SCHEMBL25151176 0.72
SCHEMBL29546867 0.67 TRPA1 (0.41) ADRA2AGRK6
SCHEMBL1398081 0.67 TRPA1 (0.41) ADRA2AGRK6
SCHEMBL4177919 0.67 GAA (0.35) HTR5A
Water SCHEMBL28834494 0.65 TRPA1 (0.39) ADRA2AGRK6
Hydrochloric Acid SCHEMBL30528593 0.65 NPC1 (0.43) ADRA2AGRK6
SCHEMBL29484156 0.64
SCHEMBL5008228 0.63 HTR5A (0.33) HTR5A
SCHEMBL5539047 0.63 ACHE (0.36) HTR5AADRA2A

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 46 patents — showing the first 20. 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-20100029696-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-1664029-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
US-7625908-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 US disclosed
US-20090221616-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1877397-B1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF EGF AND/OR ERBB2 RECEPTOR TYROSINE KINASE ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
EP-1877398-B1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
EP-1631292-B1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
EP-1685116-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-08-02 EP disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
EP-1631292-A1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astra Zeneca AB (SE) 2006-03-08 EP disclosed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 WO disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
CN-1585754-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-23 CN disclosed
WO-2004093880-A1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (4 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 HTR5A 1989/4885ADRA2A 1671/4885GRK6 228/4885
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 HTR5A 2487/4885ADRA2A 2246/4885GRK6 526/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HTR5A 1173/4885ADRA2A 1199/4885GRK6 422/4885
US-20100029696-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ERBB2, ABL1, MKI67 HTR5A 1244/4885ADRA2A 1444/4885GRK6 530/4885

“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.