SCHEMBL16990595

SCHEMBL16990595

Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2OCCN(C)C)ccc1Oc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 4/20 0.59
▸ RAF1 P04049 7/20 0.54
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41

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
SCHEMBL16990582 0.89 RAF1 (0.51) DDR2RAF1KDM4EHTTKMT2A
SCHEMBL15574734 0.89 CYP1A2 (0.52) DDR2RAF1KMT2ACARM1PRMT6
SCHEMBL169269 0.89 DDR2 (0.63) DDR2RAF1AURKARPS6KB1
SCHEMBL15575245 0.85 MEN1 (0.47) DDR2RAF1KMT2ACARM1PRMT6
SCHEMBL15574181 0.85 DDR2 (0.80) DDR2RAF1HTTCARM1PRMT6
SCHEMBL16990628 0.82 DDR2 (0.59) DDR2RAF1HTTCSF1RAURKA
SCHEMBL16990650 0.82 DDR2 (0.47) DDR2RAF1CARM1PRMT6NAMPT
SCHEMBL16990677 0.81 DDR2 (0.74) DDR2RAF1HTTCARM1PRMT6
SCHEMBL171053 0.81 DDR2 (0.70) DDR2RAF1KMT2ACSF1RAURKA
SCHEMBL16990737 0.80 DDR2 (0.73) DDR2RAF1KDM4EHTTCARM1

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 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 DDR2 1/4885RAF1 3072/4885KDM4E 4649/4885

“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.

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