SCHEMBL3245102

SCHEMBL3245102

O=C(NCc1ccc(C(=O)NCCc2ccccn2)cc1)Nc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.64
NAMPT P43490 6/20 0.53
CNR1 P21554 1/20 0.50

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
SCHEMBL3249722 0.79 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3245013 0.78 ROCK2 (0.80) ROCK2NAMPT
SCHEMBL3249295 0.77 ROCK2 (0.78) ROCK2NAMPT
SCHEMBL3239823 0.76 NAMPT (0.69) ROCK2NAMPT
SCHEMBL3245134 0.75 ROCK2 (0.79) ROCK2NAMPT
SCHEMBL8321101 0.75 GSK3B (0.56) ROCK2
SCHEMBL1394203 0.74 RAB9A (0.74) NAMPT
SCHEMBL3249547 0.73 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL13391170 0.72 ROCK2 (0.78) ROCK2
SCHEMBL18317283 0.72 CNR1 (0.76) ROCK2NAMPTCNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
US-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-18 US disclosed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 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-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE UBE3A, NEDD4, ADRM1 ROCK2 4481/4885NAMPT 4522/4885CNR1 1244/4885

“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.