SCHEMBL2840607

SCHEMBL2840607

Cc1cn(-c2cc(NC(=O)Nc3ccc(Oc4ncnc5[nH]cnc45)cc3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.56
▸ NR2E1 Q9Y466 14/20 0.55
▸ FLT3 P36888 1/20 0.52
▸ LDLR P01130 1/20 0.52
▸ KIT P10721 1/20 0.52
▸ PCSK9 Q8NBP7 1/20 0.52
▸ RAF1 P04049 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ TNNI3K Q59H18 1/20 0.49
▸ MAP4K2 Q12851 1/20 0.48

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
SCHEMBL2843359 0.88 NR2E1 (0.55) KDRNR2E1LDLRKITPCSK9
SCHEMBL12999021 0.87 KDR (0.43) KDRNR2E1FLT3LDLRKIT
SCHEMBL2845565 0.87 KDR (0.66) KDRNR2E1FLT3LDLRKIT
SCHEMBL4715500 0.81 FLT3 (0.52) KDRFLT3KITRAF1BRAF
SCHEMBL2850437 0.80 KDR (0.73) KDRFLT3BRAFMAPK14TNNI3K
SCHEMBL22528802 0.80 KDR (0.66) KDRNR2E1LDLRKITPCSK9
SCHEMBL22528864 0.77 KDR (0.66) KDRNR2E1LDLRKITPCSK9
SCHEMBL2847430 0.77 MAP4K2 (0.58) KDRNR2E1LDLRKITPCSK9
SCHEMBL5452552 0.76 NR2E1 (0.51) KDRNR2E1LDLRKITPCSK9
SCHEMBL12975650 0.75 NR2E1 (0.55) KDRNR2E1BRAFMAPK14TNNI3K

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 12 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
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-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
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 209/4885NR2E1 1653/4885FLT3 65/4885
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 KDR 4824/4885NR2E1 843/4885FLT3 4450/4885

“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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