SCHEMBL16990673

SCHEMBL16990673

O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.61
BRAF P15056 4/20 0.57
CDK8 P49336 2/20 0.56
KDR P35968 5/20 0.55
BLM P54132 1/20 0.53
WRN Q14191 1/20 0.53
MAPK14 Q16539 1/20 0.53
TNNI3K Q59H18 1/20 0.53
SRC P12931 1/20 0.52
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49

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
SCHEMBL104548 0.88 CA7 (0.63) NAMPTBRAFCDK8KDRMAPK14
SCHEMBL16990727 0.88 RAF1 (0.60) NAMPTBRAFKDRMAPK14TNNI3K
SCHEMBL939171 0.88 CDK8 (0.70) BRAFCDK8KDRBLMWRN
SCHEMBL15574842 0.84 NAMPT (0.79) NAMPTBRAFKDRMAPK14TNNI3K
SCHEMBL16990586 0.82 NAMPT (0.64) NAMPTBRAFKDRMAPK14TNNI3K
SCHEMBL15573250 0.82 NAMPT (0.67) NAMPTMAPK14
SCHEMBL15574787 0.82 KDR (0.76) NAMPTBRAFCDK8KDRMAPK14
SCHEMBL15573261 0.81 NAMPT (0.76) NAMPT
SCHEMBL16990657 0.81 HTT (0.60) NAMPTMAPK14
SCHEMBL15574779 0.80 TRPV1 (0.54) NAMPTMAPK14

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
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US claimed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 NAMPT 2021/4885BRAF 3224/4885CDK8 1442/4885

“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.