SCHEMBL17912985

SCHEMBL17912985

COc1cccc(CN2C(=O)N(c3ccc(Br)cc3)CC2CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.42
▸ ROCK2 O75116 5/20 0.41
▸ CMA1 P23946 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MDM2 Q00987 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL17912983 1.00 PKM (0.42) PKMROCK2CMA1LMNAHTT
SCHEMBL19759551 0.84 CMA1 (0.50) PKMROCK2CMA1LMNAHTT
SCHEMBL22241408 0.84 ROCK2 (0.49) PKMROCK2CMA1LMNAHTT
SCHEMBL17920343 0.84 ROCK2 (0.49) PKMROCK2CMA1LMNAHTT
SCHEMBL17920295 0.79 ROCK2 (0.47) PKMROCK2CMA1LMNAHTT
SCHEMBL17912952 0.73 MAPT (0.51) PKMROCK2CMA1LMNAHTT
SCHEMBL18048704 0.73 ROCK2 (0.54) ROCK2POLBMEN1KMT2A
SCHEMBL17912954 0.71 ROCK2 (0.60) ROCK2
SCHEMBL17920304 0.71 ROCK2 (0.60) ROCK2
SCHEMBL19759583 0.70 ROCK2 (0.61) 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 6 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 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
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

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 PKM 1485/4885ROCK2 4/4885CMA1 2273/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA PKM 1485/4885ROCK2 4/4885CMA1 2273/4885

“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.

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