SCHEMBL17912952

SCHEMBL17912952

CCOC(=O)C1CN(c2ccc(Br)cc2)C(=O)N1Cc1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 2/20 0.47
▸ ROCK2 O75116 2/20 0.45
▸ PKM P14618 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CCR8 P51685 1/20 0.41

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
SCHEMBL17920297 0.88 USP2 (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL17912899 0.83 MAPT (0.51) MAPTALDH1A1KDM4EPOLBROCK2
SCHEMBL17912997 0.82 MAPT (0.43) MAPTALDH1A1KDM4EPOLBROCK2
SCHEMBL19759551 0.82 CMA1 (0.50) MAPTALDH1A1KDM4EPOLBROCK2
SCHEMBL22241408 0.82 ROCK2 (0.49) MAPTALDH1A1POLBROCK2PKM
SCHEMBL17920343 0.82 ROCK2 (0.49) MAPTALDH1A1POLBROCK2PKM
SCHEMBL17920295 0.80 ROCK2 (0.47) MAPTALDH1A1POLBROCK2PKM
SCHEMBL17920340 0.79 ROCK2 (0.46) MAPTALDH1A1KDM4EPOLBROCK2
SCHEMBL21768494 0.79 MAPT (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL17912917 0.77 KDM4E (0.65) MAPTALDH1A1KDM4EPOLBMEN1

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 9 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
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 MAPT 44/4885ALDH1A1 2912/4885KDM4E 886/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA MAPT 44/4885ALDH1A1 2912/4885KDM4E 886/4885

“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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