SCHEMBL17311599

SCHEMBL17311599

O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)Nc1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 16/20 1.00
▸ ROCK2 O75116 9/20 1.00
▸ FFAR2 O15552 1/20 0.56

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
SCHEMBL17364556 0.83 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL17311574 0.81 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL17311506 0.80 ROCK1 (0.84) ROCK1ROCK2
SCHEMBL17364554 0.80 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL17311497 0.77 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL4687548 0.77 FFAR2 (0.74) ROCK1ROCK2FFAR2
Hydrochloric Acid SCHEMBL29855979 0.76 FFAR2 (0.72) ROCK1ROCK2FFAR2
SCHEMBL17311777 0.76 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL17311714 0.76 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL31207176 0.76 FFAR2 (0.64) ROCK1ROCK2FFAR2

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 ROCK1 3/4885ROCK2 5/4885FFAR2 2020/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK1 3/4885ROCK2 5/4885FFAR2 2036/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ROCK1 3/4885ROCK2 5/4885FFAR2 2036/4885

“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.

Send feedback