SCHEMBL17913022

SCHEMBL17913022

COc1cc(N2CC(=O)NC2=O)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MAPT P10636 2/20 0.37
HTR2A P28223 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MIF P14174 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
CMA1 P23946 1/20 0.36
GSK3B P49841 1/20 0.35
ROCK2 O75116 1/20 0.35
MCHR1 Q99705 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
SCHEMBL10814360 0.86 LMNA (0.49) MEN1KMT2AL3MBTL1MIFLMNA
SCHEMBL849389 0.80 POLB (0.48) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL11380761 0.78 MEN1 (0.59) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL15571956 0.77 DDB1 (0.36) MEN1KMT2AMAPTMCHR1KDM4E
SCHEMBL10623305 0.74 RAB9A (0.57) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18207230 0.74 ROS1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10814936 0.74 MAPT (0.60) MEN1KMT2AMAPTALDH1A1CMA1
SCHEMBL29131014 0.73 HTR2C (0.44) MEN1KMT2AMAPTHTR2AMCHR1
SCHEMBL30602445 0.73 MAPT (0.52) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16915136 0.73 MAPT (0.52) MEN1KMT2AMAPTALDH1A1LMNA

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 MEN1 406/4885KMT2A 2694/4885L3MBTL1 4564/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA MEN1 406/4885KMT2A 2694/4885L3MBTL1 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.