SCHEMBL17920343

SCHEMBL17920343

COc1cccc(CN2C(=O)N(c3ccc(Br)cc3)C[C@@H]2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.49
▸ PKM P14618 1/20 0.48
▸ CMA1 P23946 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 2/20 0.41
▸ MDM2 Q00987 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL22241408 1.00 ROCK2 (0.49) ROCK2PKMCMA1POLBLMNA
SCHEMBL19759551 0.92 CMA1 (0.50) ROCK2PKMCMA1POLBLMNA
SCHEMBL17920295 0.85 ROCK2 (0.47) ROCK2PKMCMA1POLBLMNA
SCHEMBL17912954 0.84 ROCK2 (0.60) ROCK2
SCHEMBL17920304 0.84 ROCK2 (0.60) ROCK2
SCHEMBL17912985 0.84 PKM (0.42) ROCK2PKMCMA1POLBLMNA
SCHEMBL17912983 0.84 PKM (0.42) ROCK2PKMCMA1POLBLMNA
SCHEMBL17912991 0.83 PKM (0.48) ROCK2PKMCMA1POLBLMNA
SCHEMBL19759559 0.82 ROCK2 (0.47) ROCK2PKMALOX15
SCHEMBL17912952 0.82 MAPT (0.51) ROCK2PKMCMA1POLBLMNA

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 5 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
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-01-04 — — US 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 (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 4/4885PKM 1485/4885CMA1 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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