SCHEMBL19644071

SCHEMBL19644071

COc1cccc(Cn2c(CN(C)C)nn(-c3ccc(Br)cc3)c2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.72
TP53 P04637 1/20 0.47
ADORA3 P0DMS8 2/20 0.45
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
MAPT P10636 2/20 0.43
CMA1 P23946 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL28868430 0.88 ROCK2 (0.56) ROCK2TP53ADORA3PIK3R1PIK3CA
SCHEMBL19643674 0.88 ROCK2 (0.56) ROCK2TP53ADORA3PIK3R1PIK3CA
SCHEMBL19643570 0.88 ROCK2 (0.58) ROCK2TP53ADORA3PIK3R1PIK3CA
SCHEMBL19643173 0.84 ROCK2 (1.00) ROCK2
SCHEMBL19643781 0.84 ROCK2 (0.67) ROCK2TP53PIK3R1PIK3CAMAPT
SCHEMBL19644451 0.82 ROCK2 (0.51) ROCK2TP53ADORA3PIK3R1PIK3CA
SCHEMBL21024665 0.80 ROCK2 (0.59) ROCK2TP53ADORA3MAPT
SCHEMBL19643227 0.79 ROCK2 (0.50) ROCK2TP53PIK3R1PIK3CAMAPT
SCHEMBL19643602 0.75 ROCK2 (0.60) ROCK2TP53PIK3R1PIK3CAMAPT
SCHEMBL19643876 0.72 ROCK2 (0.84) 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 10 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
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-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 (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-20190152956-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK MYLK, ROCK1, MYLK2 ROCK2 5/4885TP53 2634/4885ADORA3 2989/4885
US-10562887-B2 Triazolones and tetrazolones as inhibitors of ROCK MYLK, ROCK1, MYLK2 ROCK2 5/4885TP53 2634/4885ADORA3 2989/4885

“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.