SCHEMBL17912972

SCHEMBL17912972

COc1cccc(CN2CCN(c3ccc(-c4ncnc5[nH]ccc45)cc3)C2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.66
PKM P14618 1/20 0.59
ROCK1 Q13464 1/20 0.51
AKT2 P31751 1/20 0.47
TNIK Q9UKE5 8/20 0.46
JAK1 P23458 2/20 0.44
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL17913008 0.86 ROCK2 (0.65) ROCK2PKMROCK1TNIK
SCHEMBL20985823 0.81 ROCK2 (0.63) ROCK2ROCK1AKT2TNIKJAK1
SCHEMBL19643936 0.79 ROCK2 (1.00) ROCK2ROCK1AKT2TNIK
SCHEMBL19643172 0.79 ROCK2 (1.00) ROCK2ROCK1TNIK
SCHEMBL28267553 0.78 ROCK2 (0.64) ROCK2ROCK1AKT2TNIKJAK1
SCHEMBL17913016 0.77 PKM (0.66) ROCK2PKMROCK1TNIK
SCHEMBL16915088 0.76 PKM (0.67) ROCK2PKMROCK1
SCHEMBL17912995 0.76 ROCK2 (0.65) ROCK2PKMROCK1TNIK
SCHEMBL17912992 0.75 PKM (0.79) ROCK2PKM
SCHEMBL13362788 0.75 ROCK2 (0.67) ROCK2ROCK1AKT2TNIK

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-107406426-B Cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2020-11-20 CN claimed
CN-107406426-B Cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2020-11-20 CN disclosed
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 EP disclosed
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 EP disclosed
US-10123993-B2 Cyclic ureas as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-11-13 US disclosed
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-01-04 US disclosed
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-01-04 US disclosed
EP-3242873-A1 CYCLIC UREAS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2017-11-15 EP disclosed
WO-2016112236-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 WO disclosed
WO-2016112236-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 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-10123993-B2 Cyclic ureas as inhibitors of rock MYLK, ROCK1, UACA ROCK2 4/4885PKM 1485/4885ROCK1 2/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA ROCK2 4/4885PKM 1485/4885ROCK1 2/4885

“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.