SCHEMBL17920340

SCHEMBL17920340

CCOC(=O)C1CN(c2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)cc2)C(=O)N1Cc1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 14/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL17912997 0.90 MAPT (0.43) ROCK2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL17912952 0.79 MAPT (0.51) ROCK2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL17913000 0.78 ROCK2 (0.46) ROCK2PKMKMT2A
SCHEMBL17920287 0.76 ROCK2 (0.47) ROCK2ALDH1A1MAPT
SCHEMBL19759534 0.69 ROCK2 (0.50) ROCK2MAPT
SCHEMBL17920297 0.68 USP2 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL17912955 0.68 ROCK2 (0.58) ROCK2
SCHEMBL17920301 0.68 ROCK2 (0.56) ROCK2
SCHEMBL17912917 0.68 KDM4E (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL19759583 0.67 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 4 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-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 4/4885ALDH1A1 2912/4885MAPT 44/4885

“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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