SCHEMBL17913005

SCHEMBL17913005

CCOC(=O)C1CN(Cc2ccccc2)C(=O)N1c1ccc(-c2cnn(C(=O)O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.40
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FKBP1A P62942 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
SCHEMBL17920287 0.90 ROCK2 (0.47) ACEATML3MBTL1ALDH1A1USP30
SCHEMBL17913006 0.84 ROCK2 (0.51) ACEATML3MBTL1
SCHEMBL17912974 0.81 KMT2A (0.46) ACEALDH1A1KMT2AFKBP1A
SCHEMBL19759534 0.76 ROCK2 (0.50) USP30
SCHEMBL17912997 0.75 MAPT (0.43) ALDH1A1MEN1KMT2A
SCHEMBL17920301 0.74 ROCK2 (0.56) —
SCHEMBL17912899 0.70 MAPT (0.51) ALDH1A1MEN1KMT2A
SCHEMBL31581789 0.69 ALDH1A1 (0.54) ATML3MBTL1ALDH1A1KMT2A
SCHEMBL19759532 0.66 BRD4 (0.59) —
SCHEMBL11147455 0.66 MEN1 (0.55) ATML3MBTL1ALDH1A1MEN1KMT2A

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
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 ACE 1320/4885ATM 1240/4885L3MBTL1 4564/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA ACE 1320/4885ATM 1240/4885L3MBTL1 4564/4885

“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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