SCHEMBL16990582

SCHEMBL16990582

CNCCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccncc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 7/20 0.51
▸ DDR2 Q16832 4/20 0.49
▸ 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 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL15574734 0.90 CYP1A2 (0.52) RAF1DDR2KMT2ACARM1PRMT6
SCHEMBL16990595 0.89 DDR2 (0.59) RAF1DDR2KDM4EHTTKMT2A
SCHEMBL171343 0.89 DDR2 (0.65) RAF1DDR2KDM4EHTTKMT2A
SCHEMBL15573229 0.89 DDR2 (0.52) RAF1DDR2KMT2ACARM1PRMT6
SCHEMBL15575245 0.86 MEN1 (0.47) RAF1DDR2KMT2ACARM1PRMT6
SCHEMBL16990697 0.85 DDR2 (0.64) RAF1DDR2HTTCARM1PRMT6
SCHEMBL16990650 0.84 DDR2 (0.47) RAF1DDR2CARM1PRMT6NAMPT
SCHEMBL16990585 0.82 DDR2 (0.62) RAF1DDR2KDM4EHTTKMT2A
SCHEMBL15574090 0.82 DDR2 (0.68) RAF1DDR2KDM4EHTTKMT2A
SCHEMBL171345 0.81 DDR2 (0.71) RAF1DDR2KMT2A

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 RAF1 3072/4885DDR2 1/4885KDM4E 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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