SCHEMBL2850437

SCHEMBL2850437

O=C(Nc1ccc(Oc2ncnc3[nH]cnc23)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.73
▸ MAPK14 Q16539 14/20 0.73
▸ TNNI3K Q59H18 14/20 0.73
▸ BRAF P15056 12/20 0.73
▸ FLT3 P36888 1/20 0.69
▸ CDK8 P49336 3/20 0.63
▸ CDK7 P50613 1/20 0.63
▸ CDK6 Q00534 1/20 0.63
▸ CSF1R P07333 1/20 0.60

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
SCHEMBL2845926 0.87 KDR (0.56) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL2848934 0.84 KDR (1.00) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL17229953 0.82 FLT3 (1.00) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL4715500 0.80 FLT3 (0.52) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL2840607 0.80 KDR (0.56) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL3180722 0.78 KDR (1.00) KDRMAPK14TNNI3KBRAFCDK8
SCHEMBL28863266 0.77 CDK8 (1.00) KDRMAPK14TNNI3KBRAFCDK8
SCHEMBL4285054 0.77 KDR (1.00) KDRMAPK14TNNI3KBRAFCSF1R
SCHEMBL29448775 0.77 KDR (0.65) KDRBRAF
SCHEMBL3184177 0.76 KDR (0.79) KDRMAPK14TNNI3KBRAF

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 17 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
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 209/4885MAPK14 303/4885TNNI3K 312/4885
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 KDR 4824/4885MAPK14 1692/4885TNNI3K 3345/4885

“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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