SCHEMBL2843216

SCHEMBL2843216

O=C(Nc1ccc(Oc2ncnc3[nH]cnc23)c2cccnc12)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.48
▸ PTGS1 P23219 1/20 0.44
▸ TEK Q02763 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ TPX2 Q9ULW0 1/20 0.43
▸ BRAF P15056 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ FGFR4 P22455 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPT P10636 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
SCHEMBL12999141 0.87 LMNA (0.40) KDRAURKAAURKBPOLBMEN1
SCHEMBL2845926 0.79 KDR (0.56) KDRPTGS1AURKAMAPK14BRAF
SCHEMBL2850451 0.76 KDR (0.67) KDRKITMAPK14BRAFEGFR
SCHEMBL19233419 0.74 KDR (0.81) KDRBRAF
SCHEMBL19233275 0.74 KDR (0.81) KDRBRAFPOLB
SCHEMBL29448714 0.74 KDR (0.81) KDRBRAFPOLB
SCHEMBL19233210 0.73 KDR (0.81) KDRTEKBRAF
SCHEMBL19233233 0.72 KDR (0.66) KDRBRAF
SCHEMBL30733198 0.71 RAB9A (0.67) KDRPTGS1BRAFKDM4EMEN1
SCHEMBL28249147 0.71 RAB9A (0.67) KDRPTGS1BRAFKDM4EMEN1

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 15 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
CN-103242315-A Salt of quinoline benzamide derivative SHANGHAI YIZHI MEDICAL TECH CO 2013-08-14 — — CN 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
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 — — WO 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
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 209/4885PTGS1 3843/4885TEK 702/4885
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 KDR 4824/4885PTGS1 1128/4885TEK 3640/4885

“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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