SCHEMBL19643545

SCHEMBL19643545

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.39
BRD9 Q9H8M2 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK6 Q13882 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL10562175 0.86 CYP2C9 (0.43) CYP2C9L3MBTL1BRD9RAB9ASMN1; SMN2
SCHEMBL18656523 0.80 ALDH1A1 (0.34) L3MBTL1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19643552 0.79 ROCK2 (0.33) L3MBTL1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19643870 0.76 CYP2C9 (0.43) CYP2C9L3MBTL1BRD9GRIN2DGRIN3B
SCHEMBL19643603 0.76 CYP2C9 (0.40) CYP2C9L3MBTL1BRD9GRIN2DGRIN3B
SCHEMBL13114729 0.76 NPC1 (0.47) L3MBTL1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19643957 0.73 CYP2C9 (0.76) CYP2C9L3MBTL1BRD9RAB9ALMNA
SCHEMBL19643987 0.71 HTT (0.43) CYP2C9GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24952858 0.70 TSHR (0.44) L3MBTL1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11434951 0.69 L3MBTL1 (0.53) L3MBTL1RAB9ASMN1; SMN2ALDH1A1LMNA

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 4324/4885BRD9 3952/4885
US-10562887-B2 Triazolones and tetrazolones as inhibitors of ROCK MYLK, ROCK1, MYLK2 CYP2C9 2193/4885L3MBTL1 4324/4885BRD9 3952/4885

“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.