SCHEMBL16990737

SCHEMBL16990737

Cc1cc(NC(=O)NCc2ccc(Oc3ccncc3)c(C)c2)c(OCCCCN(C)C)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 2/20 0.73
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CARM1 Q86X55 3/20 0.40
▸ PRMT6 Q96LA8 3/20 0.40
▸ RAF1 P04049 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL16990677 0.97 DDR2 (0.74) DDR2SMN1; SMN2HPGDCARM1PRMT6
SCHEMBL15574181 0.95 DDR2 (0.80) DDR2SMN1; SMN2HPGDCARM1PRMT6
SCHEMBL16990592 0.89 DDR2 (0.68) DDR2SMN1; SMN2HPGDCARM1PRMT6
SCHEMBL15573236 0.89 DDR2 (0.70) DDR2RAF1
SCHEMBL16990697 0.87 DDR2 (0.64) DDR2SMN1; SMN2HPGDCARM1PRMT6
SCHEMBL15575411 0.86 DDR2 (0.71) DDR2RAF1
SCHEMBL15574739 0.85 DDR2 (0.80) DDR2SMN1; SMN2CARM1PRMT6RAF1
SCHEMBL15573113 0.85 DDR2 (0.61) DDR2SMN1; SMN2RAF1ROCK2ROCK1
SCHEMBL15574590 0.85 DDR2 (0.79) DDR2SMN1; SMN2CARM1PRMT6RAF1
SCHEMBL15573345 0.85 DDR2 (0.69) DDR2SMN1; SMN2HPGDCARM1PRMT6

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 1/4885SMN1; SMN2 1789/4885HPGD 2299/4885

“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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