SCHEMBL19643602

SCHEMBL19643602

COc1cccc(Cn2nnn(-c3ccc(Br)cc3)c2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.60
CMA1 P23946 1/20 0.49
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HCAR3 P49019 1/20 0.46
TP53 P04637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL19643568 0.82 ROCK2 (0.78) ROCK2
SCHEMBL19643781 0.79 ROCK2 (0.67) ROCK2MAPTTP53PIK3R1PIK3CA
SCHEMBL28868430 0.77 ROCK2 (0.56) ROCK2CMA1MAPTLMNAHTT
SCHEMBL19643674 0.77 ROCK2 (0.56) ROCK2CMA1MAPTTP53PIK3R1
SCHEMBL19643570 0.77 ROCK2 (0.58) ROCK2TP53PIK3R1PIK3CA
SCHEMBL19644451 0.76 ROCK2 (0.51) ROCK2CMA1MAPTTP53ALDH1A1
SCHEMBL5906339 0.76 ROCK2 (0.40) ROCK2MAPTHTTALDH1A1
SCHEMBL19643095 0.76 ROCK2 (1.00) ROCK2
SCHEMBL19644071 0.75 ROCK2 (0.72) ROCK2CMA1MAPTTP53PIK3R1
SCHEMBL28186296 0.75 MAPT (0.56) ROCK2CMA1MAPTTSHRLMNA

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 5/4885CMA1 982/4885MAPT 274/4885
US-10562887-B2 Triazolones and tetrazolones as inhibitors of ROCK MYLK, ROCK1, MYLK2 ROCK2 5/4885CMA1 982/4885MAPT 274/4885

“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.