SCHEMBL3131806

SCHEMBL3131806

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O[C@H]1CCCNC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.72
ERBB2 P04626 12/20 0.64
EPHA2 P29317 4/20 0.63
EPHB4 P54760 4/20 0.63
KDR P35968 3/20 0.63
FLT1 P17948 1/20 0.63
GAK O14976 1/20 0.63
RIPK2 O43353 1/20 0.63
LYN P07948 1/20 0.63
RET P07949 1/20 0.63
EPHA1 P21709 1/20 0.63
ERBB3 P21860 1/20 0.63
EPHB2 P29323 1/20 0.63
EPHA5 P54756 1/20 0.63
EPHA4 P54764 1/20 0.63
ADK P55263 1/20 0.63
PTK6 Q13882 1/20 0.63
RIPK3 Q9Y572 1/20 0.63

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
SCHEMBL12304904 1.00 EGFR (0.72) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL3121334 1.00 EGFR (0.72) EGFRERBB2EPHA2EPHB4KDR
Hydrochloric Acid SCHEMBL3127150 0.99 EGFR (0.71) EGFRERBB2EPHA2EPHB4KDR
Hydrochloric Acid SCHEMBL2456061 0.99 EGFR (0.71) EGFRERBB2EPHA2EPHB4KDR
Hydrochloric Acid SCHEMBL4091296 0.99 EGFR (0.71) EGFRERBB2EPHA2EPHB4KDR
Hydrochloric Acid SCHEMBL3129716 0.99 EGFR (0.71) EGFRERBB2EPHA2EPHB4KDR
Hydrochloric Acid SCHEMBL2458182 0.99 EGFR (0.71) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL3134269 0.95 EGFR (0.74) EGFRERBB2EPHA2EPHB4KDR
Hydrochloric Acid SCHEMBL3131145 0.94 EGFR (0.73) EGFRERBB2EPHA2EPHB4KDR
Hydrochloric Acid SCHEMBL3123628 0.94 EGFR (0.73) EGFRERBB2EPHA2EPHB4KDR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 US claimed
EP-1487806-B1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2010-07-07 EP claimed
US-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2005-09-29 US claimed
EP-1487806-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astrazeneca AB (SE) 2004-12-22 EP claimed
WO-2003082831-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
US-8399667-B2 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-8399667-B2 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-8399667-B2 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 US disclosed
EP-1487806-B1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2010-07-07 EP disclosed
EP-1487806-B1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2010-07-07 EP disclosed
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2010-06-17 US disclosed
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2010-06-17 US disclosed
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 US disclosed
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 US disclosed
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 US disclosed
US-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2005-09-29 US disclosed
EP-1487806-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astrazeneca AB (SE) 2004-12-22 EP disclosed
WO-2003082831-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2003-10-09 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-20130005727-A1 QUINAZOLINE DERIVATIVES ABL1, ERBB2, EGFR EGFR 3/4885ERBB2 2/4885EPHA2 564/4885
US-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885EPHA2 317/4885
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885EPHA2 317/4885
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885EPHA2 317/4885

“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.