SCHEMBL5592801

SCHEMBL5592801

CCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHB4 P54760 5/20 0.47
KDR P35968 2/20 0.47
TEK Q02763 2/20 0.47
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 5/20 0.42
IDH2 P48735 2/20 0.42
PTGER3 P43115 1/20 0.42
POLB P06746 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL5593089 0.91 EPHB4 (0.54) CYP1A2CYP2C19EPHB4KDRTEK
SCHEMBL5585998 0.87 KMT2A (0.46) EPHB4KDRTEKKMT2APOLB
SCHEMBL9885292 0.86 TRPV1 (0.44) EPHB4KDRTEKTRPV1PTGER3
SCHEMBL5612143 0.86 EPHB4 (0.52) EPHB4KDRTEKTRPV1PTGER3
SCHEMBL5586075 0.83 KDR (0.47) CYP1A2CYP2C19EPHB4KDRTEK
SCHEMBL5586072 0.82 KDR (0.47) CYP1A2CYP2C19EPHB4KDRTEK
SCHEMBL5592888 0.81 EPHB4 (0.54) EPHB4KDRTEKKMT2ATRPV1
SCHEMBL5592620 0.80 EPHB4 (0.47) EPHB4KDRTEKKMT2ATRPV1
SCHEMBL5671277 0.80 EPHB4 (0.49) EPHB4KDRTEKKMT2ATRPV1
SCHEMBL5592697 0.80 EPHB4 (0.47) EPHB4KDRTEKKMT2ATRPV1

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 7 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-2397478-A1 1,3-diaryl substituted ureas as modulators of kinase activity. CGI Pharmaceuticals, Inc. (US) 2011-12-21 EP 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 CYP1A2 2704/4885CYP2C9 2371/4885CYP2C19 1260/4885

“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.