SCHEMBL2850451

SCHEMBL2850451

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ncnc3[nH]ccc23)c2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.67
▸ BRAF P15056 12/20 0.67
▸ MAPK14 Q16539 10/20 0.67
▸ TNNI3K Q59H18 9/20 0.67
▸ EGFR P00533 1/20 0.59
▸ FGFR4 P22455 1/20 0.59
▸ FLT3 P36888 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KIT P10721 1/20 0.48
▸ CDK8 P49336 1/20 0.47

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
SCHEMBL2848934 0.81 KDR (1.00) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL12847032 0.78 BRAF (0.83) BRAF
SCHEMBL4287136 0.76 KDR (0.71) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL2843216 0.76 KDR (0.48) KDRBRAFMAPK14EGFRFGFR4
SCHEMBL1266479 0.74 KDR (0.64) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL22050223 0.73 TRPV1 (0.58) KDRBRAFMAPK14TNNI3KMEN1
SCHEMBL1266010 0.73 KDR (0.68) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL12847044 0.73 BRAF (0.83) BRAFMAPK14
SCHEMBL1265599 0.72 KDR (0.64) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL4279827 0.72 KDR (0.74) KDRBRAFMAPK14TNNI3KEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-23 — — US claimed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 — — US claimed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 — — WO claimed
EP-1940844-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-30 — — EP claimed
EP-1940844-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-07-09 — — EP claimed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 — — WO claimed
US-8592433-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 — — US disclosed
US-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-23 — — US disclosed
US-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-23 — — US disclosed
US-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-23 — — US disclosed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 — — US disclosed
EP-1940844-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-30 — — EP disclosed
EP-1940844-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-30 — — EP disclosed
EP-1940844-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-07-09 — — EP disclosed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 — — WO disclosed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 — — 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 (2 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-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SYK, SRC, FYN KDR 209/4885BRAF 78/4885MAPK14 303/4885
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 KDR 4824/4885BRAF 2010/4885MAPK14 1692/4885

“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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