SCHEMBL257381

SCHEMBL257381

CN1CCc2c(NC(N)=O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
CARM1 Q86X55 2/20 0.39
TRPV1 Q8NER1 3/20 0.38
MGLL Q99685 1/20 0.38
NOTUM Q6P988 3/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL21605177 0.79 NOTUM (0.33) KDM4EGAAMGLLNOTUMALDH1A1
Hydrochloric Acid SCHEMBL21598436 0.78 NPSR1 (0.34) KDM4EGAAMGLLNOTUMALDH1A1
SCHEMBL12459925 0.77 GAA (0.40) KDM4EGAATRPV1ALDH1A1MAPT
SCHEMBL8312389 0.77 NOTUM (0.33) KDM4EGAAMGLLNOTUMALDH1A1
SCHEMBL19472658 0.73 TRPV1 (0.47) KDM4ETRPV1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL12905324 0.72 ALDH1A1 (0.45) KDM4EGAANOTUMALDH1A1L3MBTL1
SCHEMBL21598438 0.71 ALDH1A1 (0.40) GAAMGLLNOTUMALDH1A1MAPT
SCHEMBL30147910 0.71 ALDH1A1 (0.40) GAAMGLLNOTUMALDH1A1MAPT
SCHEMBL28494012 0.71 MYC (0.46) KDM4EMGLLNOTUMALDH1A1HSD17B10
SCHEMBL6406762 0.71 SIGMAR1 (0.39) GAANOTUMALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 KDM4E 900/4885GAA 2720/4885CARM1 1544/4885

“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.