SCHEMBL17912899

SCHEMBL17912899

CCOC(=O)C1CN(Cc2cccc(OC)c2)C(=O)N1c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CMA1 P23946 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 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
SCHEMBL17912896 0.88 PKM (0.47) PKMLMNAHTTKMT2ACMA1
SCHEMBL17912974 0.87 KMT2A (0.46) ALDH1A1KMT2A
SCHEMBL17920301 0.84 ROCK2 (0.56) ROCK2
SCHEMBL19759541 0.83 CMA1 (0.51) MAPTPKMLMNAHTTKMT2A
SCHEMBL17912952 0.83 MAPT (0.51) MAPTKDM4EALDH1A1PKMLMNA
SCHEMBL17912991 0.82 PKM (0.48) PKMLMNAHTTKMT2ACMA1
SCHEMBL17920300 0.80 KMT2A (0.43) MAPTPKMKMT2AMEN1
SCHEMBL17912917 0.77 KDM4E (0.65) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL21768494 0.76 MAPT (0.48) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL17912940 0.73 ROCK2 (0.56) 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 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 MAPT 44/4885KDM4E 886/4885ALDH1A1 2912/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA MAPT 44/4885KDM4E 886/4885ALDH1A1 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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