SCHEMBL17912974

SCHEMBL17912974

CCOC(=O)C1CN(Cc2ccccc2)C(=O)N1c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ ACE P12821 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP19A1 P11511 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ FKBP1A P62942 1/20 0.40
▸ CASP3 P42574 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
SCHEMBL17912899 0.87 MAPT (0.51) KMT2AALDH1A1
SCHEMBL17913006 0.82 ROCK2 (0.51) ACEBRD4
SCHEMBL17913005 0.81 ACE (0.40) KMT2AACEALDH1A1FKBP1A
SCHEMBL19759533 0.80 BRD4 (0.51) KMT2AACEBRD4TDP1
SCHEMBL17920296 0.78 KMT2A (0.44) KMT2AACEALDH1A1BRD4TDP1
SCHEMBL17920300 0.77 KMT2A (0.43) KMT2AFKBP1A
SCHEMBL17920287 0.77 ROCK2 (0.47) ACEALDH1A1TDP1
SCHEMBL31581789 0.76 ALDH1A1 (0.54) KMT2AALDH1A1TDP1
SCHEMBL17912896 0.76 PKM (0.47) KMT2A
SCHEMBL11147455 0.73 MEN1 (0.55) KMT2AALDH1A1

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 8 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
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 KMT2A 2694/4885ACE 1320/4885ALDH1A1 2912/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA KMT2A 2694/4885ACE 1320/4885ALDH1A1 2912/4885

“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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