SCHEMBL17311550

SCHEMBL17311550

CN(Cc1ccccc1)C(=O)Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 1.00
ROCK1 Q13464 12/20 0.73
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL25237495 0.89 ROCK2 (0.80) ROCK2ROCK1NCOA1NCOA3KDM4E
SCHEMBL17311646 0.85 ROCK1 (1.00) ROCK2ROCK1NCOA1NCOA3KDM4E
SCHEMBL15878687 0.81 ROCK1 (0.72) ROCK2ROCK1ATMNPSR1
SCHEMBL19675414 0.80 ROCK1 (0.67) ROCK2ROCK1NCOA1NCOA3KDM4E
SCHEMBL24000656 0.80 ROCK2 (0.66) ROCK2ROCK1NCOA1NCOA3KDM4E
SCHEMBL28917113 0.78 ROCK2 (0.63) ROCK2ROCK1NCOA1NCOA3KDM4E
SCHEMBL19676545 0.77 ROCK2 (0.67) ROCK2ROCK1NCOA1NCOA3ATM
SCHEMBL17311714 0.77 ROCK2 (1.00) ROCK2ROCK1KDM4E
SCHEMBL15878612 0.77 KDM4E (0.70) ROCK2ROCK1NCOA1NCOA3KDM4E
SCHEMBL30450065 0.77 ROCK2 (0.62) ROCK2ROCK1NCOA1NCOA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US claimed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP claimed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
US-9221767-B2 Substituted phthalazinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221767-B2 Substituted phthalazinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 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 (3 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK2 5/4885ROCK1 3/4885NCOA1 1059/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK2 5/4885ROCK1 3/4885NCOA1 1152/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ROCK2 5/4885ROCK1 3/4885NCOA1 1152/4885

“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.