SCHEMBL2139276

SCHEMBL2139276

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OCC)c2)c(-c2ccnn2C)c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.38
NAMPT P43490 6/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2139269 0.84
SCHEMBL1506100 0.82 ALDH1A1 (0.41) KDM4EMAPTNAMPTKMT2AGAA
SCHEMBL1505765 0.81 MTOR (0.50) MAPTMTORKMT2AGAASMN1; SMN2
SCHEMBL2137127 0.80 MAPT (0.45) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1505706 0.80 KDM4E (0.43) KDM4EMAPTNAMPTKMT2AGAA
SCHEMBL1505581 0.80 KDM4E (0.43) KDM4EMAPTNAMPTKMT2AGAA
SCHEMBL1505602 0.80 KDM4E (0.42) KDM4EMAPTMTORNAMPTKMT2A
SCHEMBL2134704 0.79 CDK5 (0.41) NAMPTKMT2AGAA
SCHEMBL2132461 0.79 ABL1 (0.40) KDM4EMAPTKMT2ANPC1RAB9A
SCHEMBL2133723 0.78 MAPK1 (0.38) KDM4EMAPTMTOR

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 KDM4E 2925/4885MAPT 2015/4885MTOR 1184/4885

“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.