SCHEMBL2846085

SCHEMBL2846085

COc1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.64
▸ BRAF P15056 1/20 0.64
▸ MAPK14 Q16539 1/20 0.64
▸ TNNI3K Q59H18 1/20 0.64
▸ FLT3 P36888 4/20 0.60
▸ PDGFRA P16234 1/20 0.59
▸ CSF1R P07333 5/20 0.58
▸ TRPA1 O75762 2/20 0.56
▸ AURKB Q96GD4 1/20 0.55
▸ MET P08581 1/20 0.52
▸ TTBK1 Q5TCY1 1/20 0.51
▸ TTBK2 Q6IQ55 1/20 0.51

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
SCHEMBL25405811 0.81 KDR (0.81) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL29261085 0.81 TRPA1 (0.66) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL3831817 0.81 KDR (0.77) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL4548938 0.80 KDR (0.76) KDRBRAFMAPK14TNNI3KAURKB
SCHEMBL2848934 0.79 KDR (1.00) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL3857809 0.79 KDR (0.73) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL25405894 0.78 KDR (0.58) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL26272089 0.77 KDR (0.66) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL4548914 0.76 KDR (0.83) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL26274543 0.76 TRPA1 (0.68) KDRBRAFMAPK14TNNI3KFLT3

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-8592433-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 — — US claimed
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
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 — — WO disclosed
WO-2010036917-A1 PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 — — WO 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 209/4885BRAF 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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