SCHEMBL15967709

SCHEMBL15967709

COc1cccc(CNC(=O)c2ccc(-c3c[nH]nc3C)c(OC)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.71
ROCK1 Q13464 16/20 0.71
MMP13 P45452 3/20 0.60

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
SCHEMBL15968065 0.82 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL15983779 0.80 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL15741830 0.79 ROCK2 (0.66) ROCK2ROCK1MMP13
SCHEMBL14082827 0.77 ROCK1 (0.62) ROCK2ROCK1MMP13
SCHEMBL31061610 0.76 MMP13 (1.00) ROCK2ROCK1MMP13
SCHEMBL5332068 0.76 MMP13 (1.00) ROCK2ROCK1MMP13
SCHEMBL9416645 0.76 MMP13 (0.94) ROCK2ROCK1MMP13
SCHEMBL5336963 0.76 MMP13 (0.74) ROCK2ROCK1MMP13
SCHEMBL15967941 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL13940425 0.75 MMP13 (0.90) ROCK2ROCK1MMP13

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961745-B1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP claimed
US-9458110-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US claimed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 US claimed
EP-2961745-B1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
EP-2961745-B1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
US-9458110-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-9458110-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-9126944-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-08 US disclosed
US-9126944-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-08 US disclosed
WO-2014134388-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-04 WO disclosed
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 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 (2 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-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK ROCK2 2/4885ROCK1 1/4885MMP13 899/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK ROCK2 2/4885ROCK1 1/4885MMP13 899/4885

“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.