SCHEMBL3961859

SCHEMBL3961859

COc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC1CCNCC1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.79
ERBB2 P04626 12/20 0.69
EPHA2 P29317 4/20 0.69
EPHB4 P54760 4/20 0.69
GAK O14976 1/20 0.69
RIPK2 O43353 1/20 0.69
LYN P07948 1/20 0.69
RET P07949 1/20 0.69
EPHA1 P21709 1/20 0.69
ERBB3 P21860 1/20 0.69
EPHB2 P29323 1/20 0.69
EPHA5 P54756 1/20 0.69
EPHA4 P54764 1/20 0.69
ADK P55263 1/20 0.69
PTK6 Q13882 1/20 0.69
RIPK3 Q9Y572 1/20 0.69
KDR P35968 3/20 0.67
FLT1 P17948 1/20 0.67

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
SCHEMBL203146 1.00 EGFR (0.79) EGFRERBB2EPHA2EPHB4GAK
SCHEMBL31050075 1.00 EGFR (0.79) EGFRERBB2EPHA2EPHB4GAK
Hydrochloric Acid SCHEMBL4081444 0.99 EGFR (0.78) EGFRERBB2EPHA2EPHB4GAK
Hydrochloric Acid SCHEMBL201989 0.99 EGFR (0.78) EGFRERBB2EPHA2EPHB4GAK
Hydrochloric Acid SCHEMBL2455816 0.99 EGFR (0.78) EGFRERBB2EPHA2EPHB4GAK
Alcohol SCHEMBL5426837 0.95 EGFR (0.72) EGFRERBB2EPHA2EPHB4GAK
SCHEMBL3134269 0.95 EGFR (0.74) EGFRERBB2EPHA2EPHB4GAK
Hydrochloric Acid SCHEMBL3131145 0.94 EGFR (0.73) EGFRERBB2EPHA2EPHB4GAK
Hydrochloric Acid SCHEMBL3965089 0.94 EGFR (0.73) EGFRERBB2EPHA2EPHB4GAK
Hydrochloric Acid SCHEMBL3123628 0.94 EGFR (0.73) EGFRERBB2EPHA2EPHB4GAK

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237610-A1 Quinazoline Derivatives as Antiproliferative Agents ASTRAZENECA AB (SE) 2011-09-29 US disclosed
US-20110237610-A1 Quinazoline Derivatives as Antiproliferative Agents ASTRAZENECA AB (SE) 2011-09-29 US disclosed
US-7838530-B2 Quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2010-11-23 US disclosed
US-7838530-B2 Quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2010-11-23 US disclosed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
EP-1667996-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
EP-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 EP disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070032513-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1667991-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2006-06-14 EP disclosed
EP-1667996-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 EP disclosed
EP-1668006-A1 QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AstraZeneca AB (SE) 2006-06-14 EP disclosed
WO-2005030765-A1 QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005026150-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2005026157-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885EPHA2 220/4885
US-20110237610-A1 Quinazoline Derivatives as Antiproliferative Agents ERBB2, EGFR, MKI67 EGFR 2/4885ERBB2 1/4885EPHA2 584/4885
US-20070032513-A1 Quinazoline derivatives ERBB2, EGFR, ABL1 EGFR 2/4885ERBB2 1/4885EPHA2 241/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885EPHA2 218/4885

“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.