SCHEMBL2851235

SCHEMBL2851235

Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.62
BRAF P15056 13/20 0.59
PDGFRB P09619 2/20 0.51
KIT P10721 2/20 0.51
FLT1 P17948 1/20 0.51
LCK P06239 1/20 0.44
IKBKB O14920 1/20 0.43
RAF1 P04049 1/20 0.43
ERBB2 P04626 1/20 0.43
CDK1 P06493 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
FGFR3 P22607 1/20 0.43
MAP2K1 Q02750 1/20 0.43
TEK Q02763 1/20 0.43
MAPK14 Q16539 1/20 0.43
AURKB Q96GD4 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
SCHEMBL2860356 0.89 BRAF (0.49) KDRBRAFRAF1
SCHEMBL2853808 0.89 KDR (0.74) KDRBRAFPDGFRBKITFLT1
SCHEMBL2197312 0.89 KDR (0.61) KDRBRAFPDGFRBKITFLT1
SCHEMBL2854022 0.88 KDR (0.47) KDRBRAFRAF1
SCHEMBL2861349 0.87 BRAF (0.63) KDRBRAFPDGFRBKITFLT1
SCHEMBL2856543 0.86 BRAF (0.46) KDRBRAFRAF1
SCHEMBL2853231 0.86 KDR (0.64) KDRBRAFPDGFRBKITFLT1
SCHEMBL2862410 0.85 BRAF (0.67) KDRBRAFPDGFRBKITFLT1
SCHEMBL2855455 0.85 KDR (0.45) KDRBRAFRAF1
SCHEMBL2854372 0.85 KDR (0.48) KDRBRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KDR 983/4885BRAF 1/4885PDGFRB 1509/4885

“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.