SCHEMBL1364362

SCHEMBL1364362

CCC(CC)(C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1)P(=O)(O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.72
ERBB2 P04626 5/20 0.69
ABL1 P00519 2/20 0.69
RET P07949 2/20 0.69
ERBB4 Q15303 2/20 0.69
CIT O14578 1/20 0.68
GAK O14976 1/20 0.68
EPHB6 O15197 1/20 0.68
RIPK2 O43353 1/20 0.68
STK10 O94804 1/20 0.68
LCK P06239 1/20 0.68
LYN P07948 1/20 0.68
CHRM2 P08172 1/20 0.68
MET P08581 1/20 0.68
HCK P08631 1/20 0.68
SRC P12931 1/20 0.68
PHKG2 P15735 1/20 0.68
ADRA2B P18089 1/20 0.68
ERBB3 P21860 1/20 0.68
AXL P30530 1/20 0.68

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
SCHEMBL29043124 0.87 EGFR (0.73) EGFRERBB2ABL1RETERBB4
SCHEMBL4060171 0.87 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL5425627 0.87 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL15392264 0.86 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL28439806 0.85 EGFR (0.80) EGFRERBB2ABL1RETERBB4
SCHEMBL28439803 0.85 EGFR (0.80) EGFRERBB2ABL1RETERBB4
SCHEMBL2072074 0.85 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL436188 0.85 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL436189 0.85 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL17498539 0.85 EGFR (0.74) EGFRERBB2ABL1RETERBB4

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
US-8067593-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 US disclosed
US-20110207932-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 US disclosed
US-7960546-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-14 US disclosed
US-20090306378-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US 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-20110207932-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 EGFR 1/4885ERBB2 3/4885ABL1 11/4885
US-20090306378-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES EGFR, CNKSR1, ERBB2 EGFR 1/4885ERBB2 3/4885ABL1 11/4885
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 EGFR 1/4885ERBB2 3/4885ABL1 11/4885

“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.