SCHEMBL2134704

SCHEMBL2134704

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OCC)c2)c(-c2nc(-c3ccncc3)cs2)c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.41
CDK5R1 Q15078 6/20 0.41
NAMPT P43490 3/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL1554037 0.95 MAPT (0.40) GAAKMT2A
SCHEMBL1506077 0.91 NPC1 (0.37) CDK5CDK5R1NAMPTKMT2A
SCHEMBL2132617 0.90 CYP19A1 (0.41) CDK5CDK5R1
SCHEMBL1505611 0.89 NAMPT (0.41) CDK5CDK5R1NAMPTGAAKMT2A
SCHEMBL2131025 0.89 NPC1 (0.37) CDK5CDK5R1NAMPTKMT2A
SCHEMBL2133723 0.89 MAPK1 (0.38) ROCK1
SCHEMBL2135642 0.88 TGFBR1 (0.37) CDK5CDK5R1
SCHEMBL2132961 0.88 CDK5 (0.36) CDK5CDK5R1KMT2AROCK2ROCK1
SCHEMBL1505684 0.87 PKM (0.38) CDK5CDK5R1NAMPT
SCHEMBL1553153 0.87 KDM4E (0.36) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 CDK5 2131/4885CDK5R1 2969/4885NAMPT 716/4885

“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.