SCHEMBL15968147

SCHEMBL15968147

COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 1.00
ROCK1 Q13464 11/20 1.00
PRKACA P17612 4/20 0.73
PRKACG P22612 4/20 0.73
PRKACB P22694 4/20 0.73
TNIK Q9UKE5 1/20 0.68

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
SCHEMBL18685145 0.90 ROCK2 (0.81) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL17439838 0.89 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL18685098 0.89 ROCK2 (0.80) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL17439778 0.89 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL18685159 0.85 ROCK2 (0.75) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL17439933 0.85 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3812995 0.85 ROCK2 (0.76) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1649565 0.84 PRKACA (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3249977 0.84 ROCK2 (0.75) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL17439932 0.83 ROCK2 (1.00) ROCK2ROCK1

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 8 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
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-9126944-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-08 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 1/4885PRKACA 279/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK ROCK2 2/4885ROCK1 1/4885PRKACA 279/4885

“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.