SCHEMBL3181311

SCHEMBL3181311

O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.70
KDR P35968 7/20 0.65
BRAF P15056 4/20 0.65
MAPK14 Q16539 2/20 0.65
TNNI3K Q59H18 2/20 0.65
SRC P12931 2/20 0.59
CDK8 P49336 3/20 0.54
MEN1 O00255 1/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
AURKA O14965 1/20 0.53
MUSK O15146 1/20 0.53
EPHB6 O15197 1/20 0.53
MAPK13 O15264 1/20 0.53
MLNR O43193 1/20 0.53
MAP3K7 O43318 1/20 0.53
RIPK2 O43353 1/20 0.53
DYRK3 O43781 1/20 0.53
PDE6D O43924 1/20 0.53
NR1I2 O75469 1/20 0.53

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
SCHEMBL16990727 0.88 RAF1 (0.60) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL5568335 0.86 KDR (0.67) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL939171 0.86 CDK8 (0.70) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL30462521 0.85 RAF1 (0.73) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL936533 0.85 RAF1 (0.73) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL3166444 0.85 KDR (0.68) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL548328 0.85 RAF1 (0.79) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL29045853 0.83 RAF1 (0.70) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL549001 0.83 RAF1 (1.00) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL940018 0.81 RAF1 (1.00) RAF1KDRBRAFMAPK14TNNI3K

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 EP claimed
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US claimed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP claimed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US claimed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP claimed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 WO claimed
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 US disclosed
EP-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 EP disclosed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 US disclosed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 US disclosed
US-20080207591-A1 Organic Compounds MANLEY PAUL W 2008-08-28 US disclosed
EP-1580188-A1 Aryl ureas as kinase inhibitors Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
EP-1474393-A1 ARYL UREAS AS KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-11-10 EP disclosed
WO-2003068746-A1 ARYL UREAS AS KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 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 (5 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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS JAK2, JAK3, JAK1 RAF1 30/4885KDR 123/4885BRAF 17/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 RAF1 30/4885KDR 123/4885BRAF 17/4885
US-20080207591-A1 Organic Compounds FLT4, FLT1, FLT3 RAF1 885/4885KDR 7/4885BRAF 112/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA RAF1 171/4885KDR 3898/4885BRAF 284/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 RAF1 52/4885KDR 74/4885BRAF 21/4885

“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.