SCHEMBL5256705

SCHEMBL5256705

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCC(N2CC(=O)OC(C)C2)CC1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.76
ERBB2 P04626 12/20 0.76
ERBB4 Q15303 6/20 0.76
GAK O14976 1/20 0.72
RIPK2 O43353 1/20 0.72
NR1I2 O75469 1/20 0.72
LCK P06239 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
CHRM1 P11229 1/20 0.72
SRC P12931 1/20 0.72
DRD2 P14416 1/20 0.72
ADRA2C P18825 1/20 0.72
SLC6A2 P23975 1/20 0.72
MC3R P41968 1/20 0.72
JAK3 P52333 1/20 0.72
SLC6A3 Q01959 1/20 0.72
PDE4D Q08499 1/20 0.72
KCNH2 Q12809 1/20 0.72
RIPK3 Q9Y572 1/20 0.72

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
SCHEMBL7836821 1.00 EGFR (0.76) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7837886 0.94 EGFR (0.67) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7834343 0.94 EGFR (0.67) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL5253571 0.94 EGFR (0.67) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL5253715 0.94 EGFR (0.67) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7262760 0.91 EGFR (0.76) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7262756 0.91 EGFR (0.76) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7262767 0.91 EGFR (0.76) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7230756 0.90 EGFR (0.77) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL5255883 0.90 EGFR (0.77) EGFRERBB2ERBB4GAKRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280798-B1 BICYCLIC HETEROCYLCES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PRODUCING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2007-01-03 EP disclosed
EP-1280798-A1 BICYCLIC HETEROCYLCES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PRODUCING THEM Boehringer Ingelheim Pharma KG (DE) 2003-02-05 EP disclosed
US-20010044435-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-11-22 US disclosed
WO-2001077104-A1 BICYCLIC HETEROCYLCES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PRODUCING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-10-18 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-20010044435-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them RET, BMX, CYP11B1 EGFR 71/4885ERBB2 25/4885ERBB4 221/4885

“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.