SCHEMBL3177329

SCHEMBL3177329

O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.64
▸ BRAF P15056 3/20 0.64
▸ MAPK14 Q16539 2/20 0.64
▸ TNNI3K Q59H18 2/20 0.64
▸ S1PR1 P21453 3/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ GPR183 P32249 1/20 0.58
▸ APLNR P35414 1/20 0.58
▸ S1PR5 Q9H228 1/20 0.58
▸ SRC P12931 2/20 0.56
▸ RAF1 P04049 8/20 0.55
▸ CDK8 P49336 2/20 0.50
▸ BLM P54132 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ CIT O14578 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ MUSK O15146 1/20 0.50
▸ EPHB6 O15197 1/20 0.50
▸ MAPK13 O15264 1/20 0.50

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
SCHEMBL13528821 0.86 S1PR1 (0.54) KDRBRAFMAPK14TNNI3KS1PR1
SCHEMBL939171 0.82 CDK8 (0.70) KDRBRAFMAPK14TNNI3KSRC
SCHEMBL5568335 0.82 KDR (0.67) KDRBRAFMAPK14TNNI3KSRC
SCHEMBL3166444 0.81 KDR (0.68) KDRBRAFMAPK14TNNI3KSRC
SCHEMBL3181311 0.81 RAF1 (0.70) KDRBRAFMAPK14TNNI3KSRC
SCHEMBL936533 0.81 RAF1 (0.73) KDRBRAFMAPK14TNNI3KSRC
SCHEMBL30462521 0.81 RAF1 (0.73) KDRBRAFMAPK14TNNI3KSRC
SCHEMBL3174272 0.81 RAF1 (0.64) KDRBRAFMAPK14TNNI3KS1PR1
SCHEMBL5568243 0.80 KDR (0.58) KDRBRAFMAPK14TNNI3KSRC
SCHEMBL4933323 0.80 KDR (0.64) KDRBRAFMAPK14TNNI3KRAF1

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
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
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

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 KDR 123/4885BRAF 17/4885MAPK14 310/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 KDR 123/4885BRAF 17/4885MAPK14 310/4885
US-20080207591-A1 Organic Compounds FLT4, FLT1, FLT3 KDR 7/4885BRAF 112/4885MAPK14 2685/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA KDR 3898/4885BRAF 284/4885MAPK14 444/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 KDR 74/4885BRAF 21/4885MAPK14 497/4885

“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.

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