SCHEMBL19759534

SCHEMBL19759534

CCC1CN(Cc2ccccc2)C(=O)N1c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.50
▸ BRD4 O60885 13/20 0.40
▸ SCD O00767 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 1/20 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
SCHEMBL17920287 0.88 ROCK2 (0.47) ROCK2SCDGPR119USP30TP53
SCHEMBL17913000 0.83 ROCK2 (0.46) ROCK2
SCHEMBL17913005 0.76 ACE (0.40) USP30
SCHEMBL19759532 0.75 BRD4 (0.59) ROCK2BRD4
SCHEMBL25445548 0.74 ROCK2 (0.56) ROCK2SCDGPR119USP30
SCHEMBL19759533 0.72 BRD4 (0.51) BRD4
SCHEMBL13144317 0.69 ROCK2 (0.57) ROCK2SCDGPR119USP30
SCHEMBL17920292 0.68 ROCK2 (0.53) ROCK2BRD4
SCHEMBL15742917 0.67 ROCK2 (0.60) ROCK2SCDGPR119USP30
SCHEMBL3087005 0.67 ROCK2 (0.60) ROCK2SCDGPR119USP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-01-04 — — 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 (1 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-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA ROCK2 4/4885BRD4 2814/4885SCD 2940/4885

“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.

Send feedback