SCHEMBL16990727

SCHEMBL16990727

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.60
NAMPT P43490 9/20 0.55
BRAF P15056 1/20 0.52
KDR P35968 1/20 0.52
MAPK14 Q16539 1/20 0.52
TNNI3K Q59H18 1/20 0.52
SRC P12931 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL16990673 0.88 NAMPT (0.61) NAMPTBRAFKDRMAPK14TNNI3K
SCHEMBL3181311 0.88 RAF1 (0.70) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL104548 0.88 CA7 (0.63) RAF1NAMPTBRAFKDRMAPK14
SCHEMBL15574770 0.84 KMT2A (0.58) NAMPT
SCHEMBL15574842 0.83 NAMPT (0.79) NAMPTBRAFKDRMAPK14TNNI3K
SCHEMBL16990586 0.81 NAMPT (0.64) NAMPTBRAFKDRMAPK14TNNI3K
SCHEMBL15574780 0.81 KMT2A (0.60) NAMPT
SCHEMBL15574787 0.81 KDR (0.76) RAF1NAMPTBRAFKDRMAPK14
SCHEMBL15573261 0.80 NAMPT (0.76) NAMPT
SCHEMBL15574768 0.79 HTT (0.55) RAF1NAMPTBRAFKDRMAPK14

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 1 patent. 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

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 RAF1 3072/4885NAMPT 2021/4885BRAF 3224/4885

“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.