SCHEMBL5585998

SCHEMBL5585998

CCOc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
EPHB4 P54760 2/20 0.45
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
ERBB4 Q15303 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL5585843 0.91 EPHB4 (0.52) KMT2AEPHB4KDRTEKERBB4
SCHEMBL5592801 0.87 CYP1A2 (0.49) KMT2AEPHB4KDRTEKTHRA
SCHEMBL5600156 0.82 EPHB4 (0.46) KMT2AEPHB4KDRTEKERBB4
SCHEMBL5601036 0.82 EPHB4 (0.46) KMT2AEPHB4KDRTEKTHRA
SCHEMBL5592785 0.82 EPHB4 (0.46) KMT2AEPHB4KDRTEKTHRA
Ji-101 SCHEMBL5585996 0.82 EPHB4 (0.46) KMT2AEPHB4KDRTEKTHRA
SCHEMBL5592763 0.82 EPHB4 (0.46) KMT2AEPHB4KDRTEKTHRA
Ji-101 SCHEMBL29375077 0.82 EPHB4 (0.46) KMT2AEPHB4KDRTEKTHRA
SCHEMBL5585827 0.81 POLB (0.49) EPHB4KDRTEKERBB4GAA
SCHEMBL5612923 0.81 THRB (0.42) KMT2AEPHB4THRATHRBMEN1

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 KMT2A 3501/4885EPHB4 3357/4885KDR 72/4885

“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.