SCHEMBL5669306

SCHEMBL5669306

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
TRPA1 O75762 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
THRB P10828 1/20 0.39
FGFR1 P11362 2/20 0.37
FGFR4 P22455 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
POLB P06746 3/20 0.36
P2RX7 Q99572 1/20 0.36
ERBB4 Q15303 1/20 0.36
TP53 P04637 1/20 0.36
USP2 O75604 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
SCHEMBL5959816 0.91 MEN1 (0.43) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL5585978 0.91 MEN1 (0.40) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL5592619 0.89 EPHB4 (0.44) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL5592869 0.89 MAPT (0.42) MAPTMEN1KMT2AKDM4EKDR
SCHEMBL5592911 0.87 MAPT (0.41) MAPTMEN1KMT2AKDM4EHSD17B10
Ji-101 SCHEMBL5585996 0.87 EPHB4 (0.46) MAPTMEN1KMT2AKDM4EHSD17B10
Ji-101 SCHEMBL29375077 0.87 EPHB4 (0.46) MAPTMEN1KMT2AKDM4EHSD17B10
Ji-101 SCHEMBL14993319 0.86 EPHB4 (0.45) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL5959824 0.82 KDR (0.46) MAPTMEN1KMT2ANPSR1KDR
SCHEMBL5592763 0.80 EPHB4 (0.46) MAPTMEN1KMT2AKDM4EHSD17B10

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 9 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
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-07 US 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 MAPT 2782/4885MEN1 3417/4885KMT2A 3501/4885

“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.