SCHEMBL6995990

SCHEMBL6995990

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCN1CCN(C2COC(=O)C2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
ERBB2 P04626 5/20 0.70
ERBB3 P21860 3/20 0.70
KIT P10721 2/20 0.70
SRC P12931 2/20 0.70
ERBB4 Q15303 2/20 0.70
KDR P35968 2/20 0.70
BMPR1B O00238 1/20 0.70
CIT O14578 1/20 0.70
MAP2K7 O14733 1/20 0.70
GAK O14976 1/20 0.70
EPHB6 O15197 1/20 0.70
MAP3K7 O43318 1/20 0.70
RIPK2 O43353 1/20 0.70
STK17B O94768 1/20 0.70
STK10 O94804 1/20 0.70
ABL1 P00519 1/20 0.70
LCK P06239 1/20 0.70
FYN P06241 1/20 0.70
YES1 P07947 1/20 0.70

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
SCHEMBL3472701 0.97 EGFR (0.75) EGFRERBB2ERBB3KITSRC
SCHEMBL7003518 0.96 EGFR (0.72) EGFRERBB2ERBB3KITSRC
SCHEMBL7566274 0.90 EGFR (0.65) EGFRERBB2ERBB3KITSRC
SCHEMBL7567845 0.88 EGFR (0.72) EGFRERBB2ERBB3KITSRC
SCHEMBL7000606 0.86 EGFR (0.59) EGFRERBB2ERBB3KITSRC
SCHEMBL29623602 0.84 EGFR (0.69) EGFRERBB2ERBB3KITSRC
SCHEMBL185241 0.84 EGFR (0.69) EGFRERBB2ERBB3KITSRC
SCHEMBL254672 0.84 EGFR (0.69) EGFRERBB2ERBB3KITSRC
SCHEMBL5229340 0.84 EGFR (0.60) EGFRERBB2ERBB3KITSRC
SCHEMBL5253073 0.84 EGFR (0.70) EGFRERBB2SRCERBB4GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315716-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-06-04 EP claimed
US-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US claimed
WO-2002018370-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO claimed
EP-1315716-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-06-04 EP disclosed
US-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US disclosed
WO-2002018370-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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 (1 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-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 165/4885ERBB2 28/4885ERBB3 92/4885

“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.