SCHEMBL16990678

SCHEMBL16990678

O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
NAMPT P43490 3/20 0.55
TRPV1 Q8NER1 5/20 0.53
MAPK14 Q16539 3/20 0.49
ALDH1A1 P00352 1/20 0.49
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
TNNI3K Q59H18 1/20 0.49
DDR2 Q16832 1/20 0.48
CYP3A4 P08684 1/20 0.47
RAF1 P04049 1/20 0.47
FLT3 P36888 1/20 0.47
MTOR P42345 1/20 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
SCHEMBL16990686 0.92 NAMPT (0.55) HTTNAMPTTRPV1MAPK14ALDH1A1
SCHEMBL15573134 0.86 HTT (0.80) HTTNAMPTTRPV1MAPK14ALDH1A1
SCHEMBL16990657 0.84 HTT (0.60) HTTNAMPTTRPV1MAPK14ALDH1A1
SCHEMBL15574698 0.84 HTT (0.62) HTTNAMPTMAPK14ALDH1A1CYP3A4
SCHEMBL15574745 0.84 RAF1 (0.59) NAMPTTRPV1ALDH1A1BRAFDDR2
SCHEMBL15574842 0.83 NAMPT (0.79) HTTNAMPTMAPK14BRAFKDR
SCHEMBL15575399 0.83 HTT (0.60) HTTNAMPTTRPV1MAPK14ALDH1A1
SCHEMBL16990586 0.81 NAMPT (0.64) HTTNAMPTTRPV1MAPK14BRAF
SCHEMBL15574561 0.81 NAMPT (0.61) HTTNAMPTMAPK14ALDH1A1CYP3A4
SCHEMBL15574787 0.81 KDR (0.76) NAMPTMAPK14BRAFKDRTNNI3K

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 HTT 3579/4885NAMPT 2021/4885TRPV1 410/4885

“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.