SCHEMBL19643603

SCHEMBL19643603

COc1cc(-n2nc[nH]c2=O)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MAPT P10636 1/20 0.36
GRM4 Q14833 1/20 0.35
DHODH Q02127 1/20 0.34
NPBWR1 P48145 1/20 0.34
ROCK2 O75116 2/20 0.34
G6PD P11413 1/20 0.34
TLR9 Q9NR96 1/20 0.34
BRD9 Q9H8M2 1/20 0.34

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
SCHEMBL19643648 0.78 P2RX7 (0.32) RAB9ASMN1; SMN2ALDH1A1MAPTROCK2
SCHEMBL18642021 0.78 QPCT (0.34)
SCHEMBL19643870 0.77 CYP2C9 (0.43) CYP2C9L3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19643545 0.76 CYP2C9 (0.42) CYP2C9L3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8682235 0.73 NPC1 (0.42) RAB9ASMN1; SMN2ALDH1A1MAPTNPBWR1
SCHEMBL19643987 0.72 HTT (0.43) CYP2C9ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL30712345 0.72 MGLL (0.47) L3MBTL1ALDH1A1NPBWR1
SCHEMBL19643957 0.71 CYP2C9 (0.76) CYP2C9L3MBTL1RAB9AG6PDTLR9
SCHEMBL29172956 0.70 ALDH1A1 (0.45) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28471418 0.69 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1MAPTNPBWR1

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 8 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-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 CYP2C9 2193/4885L3MBTL1 4324/4885RAB9A 1502/4885
US-10562887-B2 Triazolones and tetrazolones as inhibitors of ROCK MYLK, ROCK1, MYLK2 CYP2C9 2193/4885L3MBTL1 4324/4885RAB9A 1502/4885

“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.