SCHEMBL19643226

SCHEMBL19643226

COc1cccc(Cn2c(C)nn(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.59
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.43

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
SCHEMBL19661765 0.93 ROCK2 (0.54) ROCK2TP53MAPT
SCHEMBL19643781 0.81 ROCK2 (0.67) ROCK2TP53MAPT
SCHEMBL17912900 0.77 TP53 (0.48) ROCK2TP53MAPT
SCHEMBL19643895 0.76 ROCK2 (0.83) ROCK2
SCHEMBL17913024 0.74 PKM (0.67) ROCK2
SCHEMBL19643909 0.74 ROCK2 (1.00) ROCK2
SCHEMBL16029279 0.74 HIF1A (0.77) MAPT
SCHEMBL19643787 0.74 SNCA (0.39) TP53MAPT
SCHEMBL19643877 0.73 ROCK2 (1.00) ROCK2
SCHEMBL19643182 0.72 ROCK2 (1.00) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153663-B Triazolones and tetrazolones as ROCK inhibitors 百时美施贵宝公司 2021-08-13 CN disclosed
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
EP-3481816-B1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-24 EP disclosed
EP-3464262-B1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
EP-3464262-B1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-10562887-B2 Triazolones and tetrazolones as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-18 US disclosed
US-10562887-B2 Triazolones and tetrazolones as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-18 US disclosed
US-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 US disclosed
US-20190152956-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-23 US disclosed
US-20190152956-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-23 US disclosed
EP-3464262-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2019-04-10 EP disclosed
WO-2017205709-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-30 WO disclosed
WO-2017205709-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-30 WO 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 (4 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-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS MYLK, ROCK1, ROCK2 ROCK2 3/4885TP53 2630/4885MAPT 192/4885
US-20190152956-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK MYLK, ROCK1, MYLK2 ROCK2 5/4885TP53 2634/4885MAPT 274/4885
US-10562887-B2 Triazolones and tetrazolones as inhibitors of ROCK MYLK, ROCK1, MYLK2 ROCK2 5/4885TP53 2634/4885MAPT 274/4885
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors MYLK, ROCK1, MYLK2 ROCK2 7/4885TP53 2722/4885MAPT 256/4885

“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.