SCHEMBL5585843

SCHEMBL5585843

COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 4/20 0.52
KDR P35968 1/20 0.52
TEK Q02763 1/20 0.52
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
ERBB4 Q15303 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL5585998 0.91 KMT2A (0.46) EPHB4KDRTEKMAPTMEN1
SCHEMBL5585827 0.90 POLB (0.49) EPHB4KDRTEKMAPTIRAK4
SCHEMBL5600156 0.89 EPHB4 (0.46) EPHB4KDRTEKMAPTMEN1
SCHEMBL5592785 0.89 EPHB4 (0.46) EPHB4KDRTEKMAPTMEN1
SCHEMBL5601036 0.89 EPHB4 (0.46) EPHB4KDRTEKMAPTMEN1
SCHEMBL5959824 0.89 KDR (0.46) EPHB4KDRTEKMAPTMEN1
Ji-101 SCHEMBL5585996 0.89 EPHB4 (0.46) EPHB4KDRTEKMAPTMEN1
SCHEMBL5592763 0.89 EPHB4 (0.46) EPHB4KDRTEKMAPTMEN1
Ji-101 SCHEMBL29375077 0.89 EPHB4 (0.46) EPHB4KDRTEKMAPTMEN1
SCHEMBL5959826 0.88 ALDH1A1 (0.48) EPHB4KDRTEKMAPTMEN1

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 EPHB4 3357/4885KDR 72/4885TEK 302/4885

“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.