SCHEMBL14489755

SCHEMBL14489755

CCOc1cc2nc[nH]c(=O)c2cc1OC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.39
XBP1 P17861 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
ERBB2 P04626 3/20 0.36
ALK Q9UM73 1/20 0.36
IP6K1 Q92551 2/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNG1 Q06432 1/20 0.35
CACNB2 Q08289 1/20 0.35

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
SCHEMBL14489750 0.90 EGFR (0.47) EGFRERBB2CACNB4CACNA1ACACNA1G
SCHEMBL14489766 0.90 ERBB2 (0.45) EGFRERBB2CACNB4CACNA1ACACNA1G
SCHEMBL1446605 0.89 EGFR (0.39) EGFRGPR119ERBB2ALKIP6K1
SCHEMBL21612785 0.88 XBP1 (0.40) EGFRXBP1ERBB2IP6K1MAPK7
SCHEMBL14489751 0.87 XBP1 (0.50) XBP1GPR119
SCHEMBL14489753 0.87 XBP1 (0.43) EGFRXBP1ERBB2
SCHEMBL1447468 0.86 IP6K1 (0.38) EGFRGPR119ERBB2ALKIP6K1
SCHEMBL21612803 0.86 PDE4D (0.47) XBP1GPR119
SCHEMBL14489809 0.82 ENPP1 (0.50) EGFRERBB2
SCHEMBL23355354 0.81 IP6K1 (0.39) EGFRERBB2IP6K1

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 349/4885XBP1 4713/4885GPR119 1317/4885

“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.