SCHEMBL5669752

SCHEMBL5669752

COc1ccc(Br)cc1NC(=O)Nc1c(C)ccc2c1ccn2Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB4 Q15303 1/20 0.45
KDR P35968 1/20 0.45
EPHB4 P54760 1/20 0.45
TEK Q02763 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX7 Q99572 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL5959824 0.94 KDR (0.46) ERBB4KDREPHB4TEKNPSR1
SCHEMBL5585985 0.91 EPHB4 (0.45) ERBB4KDREPHB4TEKNPSR1
SCHEMBL5592619 0.90 EPHB4 (0.44) ERBB4KDREPHB4TEKNPSR1
SCHEMBL5601157 0.90 THRB (0.49) ERBB4EPHB4ALDH1A1LMNACYP1A2
SCHEMBL5592491 0.87 KDR (0.47) ERBB4KDREPHB4TEKALDH1A1
SCHEMBL5585843 0.86 EPHB4 (0.52) ERBB4KDREPHB4TEKNPSR1
SCHEMBL5959826 0.86 ALDH1A1 (0.48) ERBB4KDREPHB4TEKNPSR1
SCHEMBL5636353 0.86 KDR (0.46) ERBB4KDREPHB4TEKNPSR1
SCHEMBL2887786 0.85 KDR (0.43) ERBB4KDREPHB4TEKNPSR1
SCHEMBL5611473 0.83 KDR (0.48) ERBB4KDREPHB4TEKNPSR1

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
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
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 ERBB4 85/4885KDR 72/4885EPHB4 3357/4885

“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.