SCHEMBL2812619

SCHEMBL2812619

NC(=O)c1nc(-c2ccc(OCC(=O)O)cc2)[nH]c1NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.52
KDR P35968 10/20 0.50
BRAF P15056 4/20 0.49
PDGFRB P09619 2/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
CDK8 P49336 4/20 0.47
CDK7 P50613 1/20 0.47
CDK6 Q00534 1/20 0.47
MAPK14 Q16539 4/20 0.46
TNNI3K Q59H18 4/20 0.46
FLT3 P36888 3/20 0.46
NTRK1 P04629 2/20 0.46
NTRK2 Q16620 2/20 0.46
AURKB Q96GD4 2/20 0.46
FYN P06241 2/20 0.46
CSF1R P07333 2/20 0.46

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
SCHEMBL2819439 0.90 IDH1 (0.49) KDRMEN1KMT2AFLT3CHEK2
SCHEMBL2817151 0.86 KCNMA1 (0.51) KCNMA1KDRBRAFMEN1MAPT
SCHEMBL2814866 0.85 BRAF (0.48) KDRBRAFPDGFRBCDK8MAPK14
SCHEMBL2816988 0.84 ADORA2A (0.45) MEN1MAPTKMT2A
SCHEMBL2812011 0.80 MEN1 (0.45) MEN1KMT2A
SCHEMBL2816860 0.80 ADORA2B (0.43) MEN1MAPTKMT2ARAB9ACHEK2
SCHEMBL2815672 0.79 RAB9A (0.45) MEN1MAPTKMT2ARAB9A
SCHEMBL2816509 0.78 MEN1 (0.47) MEN1MAPTHTTKMT2ARAB9A
SCHEMBL2813147 0.77 ADORA2B (0.46) MEN1KMT2ARAB9A
SCHEMBL3999791 0.77 KMT2A (0.52) MEN1MAPTKMT2ACHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 KCNMA1 1748/4885KDR 1879/4885BRAF 481/4885

“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.