SCHEMBL14489802

SCHEMBL14489802

COc1cc2ncnc(Cl)c2cc1OC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.53
ERBB2 P04626 6/20 0.52
RIPK2 O43353 1/20 0.51
RET P07949 1/20 0.51
MET P08581 1/20 0.51
EPHB2 P29323 1/20 0.51
TEC P42680 1/20 0.51
EPHB4 P54760 1/20 0.51
EPHA4 P54764 1/20 0.51
BTK Q06187 1/20 0.51
KCNH2 Q12809 1/20 0.51
TNK1 Q13470 1/20 0.51
RIPK3 Q9Y572 1/20 0.51
MAPK7 Q13164 1/20 0.49

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
SCHEMBL14489809 0.90 ENPP1 (0.50) EGFRERBB2RIPK2RETMET
SCHEMBL1527928 0.90 EGFR (0.45) EGFRERBB2RIPK2RETMET
SCHEMBL14489814 0.90 ERBB2 (0.51) EGFRERBB2RIPK2RETMET
SCHEMBL14489848 0.88 ACHE (0.57) EGFRERBB2RIPK2RETMET
SCHEMBL3129523 0.88 EGFR (0.56) EGFRERBB2RIPK2RETMET
SCHEMBL4087511 0.88 EGFR (0.56) EGFRERBB2RIPK2RETMET
SCHEMBL14489800 0.87 EGFR (0.58) EGFRERBB2RIPK2RETMET
SCHEMBL2453138 0.85 PIK3CD (0.54) EGFRERBB2RIPK2RETMET
SCHEMBL29465791 0.85 PIK3CD (0.54) EGFRERBB2RIPK2RETMET
SCHEMBL29465790 0.85 PIK3CD (0.54) EGFRERBB2RIPK2RETMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 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 (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-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 EGFR 349/4885ERBB2 83/4885RIPK2 1540/4885

“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.