SCHEMBL2135545

SCHEMBL2135545

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OCC)c2)c(-c2nc(C3CCCC3)cs2)c1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
MTOR P42345 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34

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
SCHEMBL2131242 0.99 PKM (0.35) PKMMTORKDM4EMAPTCPT2
SCHEMBL1505684 0.97 PKM (0.38) PKMMTORKDM4EMAPT
SCHEMBL2134385 0.94 BRD4 (0.34) PKMMTORKDM4EMAPT
SCHEMBL2134278 0.88 MTOR (0.34) PKMMTORMAPT
SCHEMBL2135538 0.87
SCHEMBL2131236 0.86
SCHEMBL2134704 0.85 CDK5 (0.41)
SCHEMBL1554037 0.85 MAPT (0.40) KDM4EMAPT
SCHEMBL1553153 0.85 KDM4E (0.36) MTORKDM4EMAPT
SCHEMBL1505570 0.84

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 PKM 1535/4885MTOR 1184/4885KDM4E 2925/4885

“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.