SCHEMBL5592945

SCHEMBL5592945

COc1cc(OC)c(NC(=O)Nc2cccc3c2ccn3Cc2ccnc(N)c2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
EPHB4 P54760 1/20 0.46
S1PR2 O95136 4/20 0.45
NTRK1 P04629 2/20 0.44
NTRK2 Q16620 2/20 0.44
CHEK1 O14757 1/20 0.43
SHMT2 P34897 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
IGF1R P08069 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5593101 0.93 MAPT (0.43) MAPTEPHB4S1PR2NTRK1NTRK2
SCHEMBL5592585 0.90 MEN1 (0.47) MAPTEPHB4NTRK1NTRK2POLB
SCHEMBL5592480 0.88 EPHB4 (0.47) MAPTEPHB4MEN1KMT2AIGF1R
SCHEMBL5592642 0.87 EPHB4 (0.40) MAPTEPHB4MEN1KMT2ATP53
Ji-101 SCHEMBL5585996 0.86 EPHB4 (0.46) MAPTEPHB4MEN1KMT2AIRAK4
Ji-101 SCHEMBL29375077 0.86 EPHB4 (0.46) MAPTEPHB4MEN1KMT2AIRAK4
Ji-101 SCHEMBL14993319 0.86 EPHB4 (0.45) MAPTEPHB4MEN1KMT2AIRAK4
SCHEMBL5592483 0.85 EPHB4 (0.42) MAPTEPHB4MEN1KMT2ALMNA
SCHEMBL5586075 0.84 KDR (0.47) MAPTEPHB4MEN1KMT2ALMNA
SCHEMBL166253 0.84 EPHB4 (0.42) MAPTEPHB4NTRK1NTRK2POLB

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 13 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
CN-102267978-A 1,3-diaryl substituted ureas as modulators of kinase activity 2011-12-07 CN claimed
CN-101163691-A 1, 3-diaryl substituted ureas as modulators of kinase activity CGI PHARMACEUTICALS INC (US) 2008-04-16 CN 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
CN-102267978-A 1,3-diaryl substituted ureas as modulators of kinase activity 2011-12-07 CN disclosed
CN-101163691-A 1, 3-diaryl substituted ureas as modulators of kinase activity CGI PHARMACEUTICALS INC (US) 2008-04-16 CN disclosed
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-07 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-20060199846-A1 Certain substituted ureas as modulators of kinase activity UCK2, CHUK, AXL MAPT 2782/4885EPHB4 3357/4885S1PR2 3793/4885

“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.