SCHEMBL5592591

SCHEMBL5592591

O=C(Nc1ccc2c(ccn2Cc2ccncc2)c1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.58
KCNQ2 O43526 2/20 0.58
KCNQ4 P56696 2/20 0.58
KCNQ5 Q9NR82 2/20 0.58
BRAF P15056 1/20 0.52
KDR P35968 8/20 0.51
TEK Q02763 3/20 0.51
EPHB4 P54760 3/20 0.51
MAOB P27338 2/20 0.49
PDGFRB P09619 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
EPHX2 P34913 2/20 0.46
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL5592655 0.91 BRAF (0.58) KCNQ3KCNQ2KCNQ4KCNQ5BRAF
SCHEMBL5592439 0.88 KCNQ3 (0.57) KCNQ3KCNQ2KCNQ4KCNQ5BRAF
SCHEMBL5612143 0.82 EPHB4 (0.52) BRAFKDRTEKEPHB4PDGFRB
SCHEMBL5959828 0.81 KDR (0.44) KCNQ3KCNQ2KCNQ4KCNQ5BRAF
SCHEMBL5611430 0.81 BRAF (0.75) KCNQ3KCNQ2KCNQ4KCNQ5BRAF
SCHEMBL5610966 0.80 KDR (0.53) KCNQ3KCNQ2KCNQ4KCNQ5BRAF
SCHEMBL5633144 0.77 KDR (0.45) BRAFKDRTEKEPHB4PDGFRB
SCHEMBL27719164 0.77 KDR (0.48) BRAFKDRTEKEPHB4PDGFRB
SCHEMBL5592688 0.76 ERBB4 (0.55) BRAFEPHB4NTRK1NTRK2IDH1
SCHEMBL9885308 0.76 MAPT (0.61) MAOBNAMPT

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-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
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 KCNQ3 3711/4885KCNQ2 3650/4885KCNQ4 4023/4885

“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.