SCHEMBL2134385

SCHEMBL2134385

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OCC)c2)c(-c2nc(C3CCNCC3)cs2)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
PKM P14618 1/20 0.34
MTOR P42345 1/20 0.34
PLAT P00750 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1505684 0.95 PKM (0.38) PKMMTORCDK5CDK5R1KDM4E
SCHEMBL2135545 0.94 PKM (0.35) PKMMTORKDM4EMAPT
SCHEMBL2131242 0.93 PKM (0.35) PKMMTORKDM4EMAPT
SCHEMBL2134372 0.88
SCHEMBL2134278 0.86 MTOR (0.34) PKMMTORMAPT
SCHEMBL2134704 0.84 CDK5 (0.41) CDK5CDK5R1
SCHEMBL1554037 0.83 MAPT (0.40) KDM4EMAPT
SCHEMBL1553153 0.83 KDM4E (0.36) MTORKDM4EMAPT
SCHEMBL1505570 0.82
SCHEMBL2133723 0.82 MAPK1 (0.38) MTORKDM4EMAPT

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 BRD4 3180/4885ATAD2 4654/4885PKM 1535/4885

“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.