SCHEMBL21024665

SCHEMBL21024665

C=NN/C=C(\C)c1ccc(-n2nc(CN(C)C)n(Cc3cccc(OC)c3)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.59
TP53 P04637 1/20 0.41
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.36
PCSK9 Q8NBP7 2/20 0.36

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
SCHEMBL21025338 0.89 ROCK2 (0.60) ROCK2
SCHEMBL21767258 0.85 ROCK2 (0.62) ROCK2TP53
SCHEMBL19644071 0.80 ROCK2 (0.72) ROCK2TP53ADORA3MAPT
SCHEMBL21024917 0.77 ROCK2 (0.57) ROCK2
SCHEMBL19643173 0.75 ROCK2 (1.00) ROCK2
SCHEMBL19643570 0.70 ROCK2 (0.58) ROCK2TP53ADORA3
SCHEMBL28868430 0.70 ROCK2 (0.56) ROCK2TP53ADORA3MAPT
SCHEMBL19643674 0.69 ROCK2 (0.56) ROCK2TP53ADORA3MAPT
SCHEMBL19644451 0.66 ROCK2 (0.51) ROCK2TP53ADORA3MAPT
SCHEMBL19643876 0.66 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.