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SCHEMBL2450792

SCHEMBL2450792

CN(c1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.54
▸ BRAF P15056 9/20 0.54
▸ KIT P10721 2/20 0.48
▸ PDGFRA P16234 2/20 0.48
▸ TEK Q02763 2/20 0.48
▸ IKBKB O14920 1/20 0.48
▸ RAF1 P04049 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ FGFR3 P22607 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ DYRK1A Q13627 2/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ STK10 O94804 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ RET P07949 1/20 0.43

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
SCHEMBL2450325 0.93 KDR (0.49) KDRBRAFKITPDGFRATEK
SCHEMBL2454644 0.90 KDR (0.51) KDRBRAFKITPDGFRATEK
SCHEMBL12334319 0.90 DYRK1A (0.54) KDRBRAFKITPDGFRATEK
SCHEMBL2454634 0.89 ABL1 (0.50) KDRBRAFKITPDGFRATEK
SCHEMBL2458469 0.88 KDR (0.57) KDRBRAFKITPDGFRATEK
SCHEMBL2453229 0.87 KDR (0.51) KDRBRAFKITPDGFRATEK
SCHEMBL2857403 0.87 BRAF (0.51) KDRBRAFKITPDGFRATEK
SCHEMBL2455652 0.82 KDR (0.58) KDRBRAFKITPDGFRATEK
SCHEMBL2455490 0.80 KDR (0.51) KDRBRAFKITPDGFRATEK
SCHEMBL12305934 0.79 KDR (0.56) KDRBRAFKITPDGFRATEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399921-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-12 — — EP disclosed
US-8697874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 — — US disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 — — EP disclosed
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 — — US disclosed
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 — — US disclosed
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 — — US disclosed
WO-2010064611-A1 HETEROCYCLIC COMPOUND AND USE THEREOF 武田薬品工業株式会社 (JP) 2010-06-10 — — 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 (1 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-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 KDR 432/4885BRAF 1/4885KIT 3731/4885

“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.