SCHEMBL2858679

SCHEMBL2858679

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Oc1ccc2nc(NC(=O)CO)sc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
TEK Q02763 2/20 0.48
ALDH1A1 P00352 1/20 0.47
BRAF P15056 9/20 0.47
LCK P06239 4/20 0.46
MAPK14 Q16539 4/20 0.46
JAK3 P52333 2/20 0.46
CSF1R P07333 5/20 0.46
KIT P10721 3/20 0.45
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
PDGFRB P09619 1/20 0.45
DDR1 Q08345 1/20 0.45
RAF1 P04049 1/20 0.44
BTK Q06187 1/20 0.44
MAPT P10636 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
SCHEMBL2855913 0.93 BTK (0.50) KDRTEKALDH1A1BRAFLCK
SCHEMBL2858471 0.89 BRAF (0.52) KDRBRAFRAF1
SCHEMBL2855661 0.88 KDR (0.53) KDRTEKALDH1A1BRAFCSF1R
SCHEMBL2859286 0.88 WNT3A (0.47) KDRTEKALDH1A1BRAFLCK
SCHEMBL2855717 0.87 KDR (0.54) KDRTEKALDH1A1BRAFKIT
SCHEMBL2858206 0.86 KDR (0.51) KDRTEKALDH1A1BRAFLCK
SCHEMBL13184976 0.85 KDR (0.40) KDRTEKALDH1A1BRAFLCK
SCHEMBL2857561 0.85 BRAF (0.48) KDRTEKALDH1A1BRAFLCK
SCHEMBL2853585 0.84 KDR (0.39) KDRTEKALDH1A1BRAFLCK
SCHEMBL13185061 0.84 KDR (0.44) KDRTEKALDH1A1BRAFLCK

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
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

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 983/4885TEK 3301/4885ALDH1A1 625/4885

“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.