SCHEMBL5585978

SCHEMBL5585978

COc1ccc(Br)cc1NC(=O)Nc1c(Cl)ccc2c1ccn2Cc1ccnc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
MAPT P10636 7/20 0.39
THRB P10828 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
ERBB4 Q15303 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
P2RX7 Q99572 1/20 0.37
BRAF P15056 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TRPA1 O75762 1/20 0.36
IGF1R P08069 1/20 0.36
TP53 P04637 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL5669306 0.91 MAPT (0.41) MEN1KMT2ANPSR1KDREPHB4
SCHEMBL5585985 0.90 EPHB4 (0.45) MEN1KMT2ANPSR1KDREPHB4
Ji-101 SCHEMBL5585996 0.87 EPHB4 (0.46) MEN1KMT2ANPSR1KDREPHB4
Ji-101 SCHEMBL29375077 0.87 EPHB4 (0.46) MEN1KMT2ANPSR1KDREPHB4
Ji-101 SCHEMBL14993319 0.86 EPHB4 (0.45) MEN1KMT2ANPSR1KDREPHB4
SCHEMBL5959816 0.85 MEN1 (0.43) MEN1KMT2AEPHB4MAPTTHRB
SCHEMBL5959824 0.84 KDR (0.46) MEN1KMT2ANPSR1KDREPHB4
SCHEMBL5669752 0.82 ERBB4 (0.45) MEN1KMT2ANPSR1KDREPHB4
SCHEMBL5592619 0.81 EPHB4 (0.44) MEN1KMT2ANPSR1KDREPHB4
SCHEMBL5592911 0.81 MAPT (0.41) MEN1KMT2AKDREPHB4TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858879-B1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2012-06-06 EP claimed
EP-1858879-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP claimed
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-07 US claimed
WO-2006076593-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2006-07-20 WO claimed
EP-1858879-B1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2012-06-06 EP disclosed
EP-1858879-B1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2012-06-06 EP disclosed
EP-2397478-A1 1,3-diaryl substituted ureas as modulators of kinase activity. CGI Pharmaceuticals, Inc. (US) 2011-12-21 EP disclosed
EP-2397478-A1 1,3-diaryl substituted ureas as modulators of kinase activity. CGI Pharmaceuticals, Inc. (US) 2011-12-21 EP disclosed
EP-1858879-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP disclosed
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-07 US disclosed
WO-2006076593-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060199846-A1 Certain substituted ureas as modulators of kinase activity UCK2, CHUK, AXL MEN1 3417/4885KMT2A 3501/4885NPSR1 2963/4885

“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.