SCHEMBL4159231

SCHEMBL4159231

Cc1nc(N(C)Cc2ccccc2)sc1C=CC(=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NR4A2 P43354 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
APP P05067 1/20 0.38
SLC26A6 Q9BXS9 1/20 0.38

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
SCHEMBL4161630 0.81 NR4A2 (0.31) KDM4EALDH1A1MAPTMAPK1NR4A2
SCHEMBL4164802 0.80 NPC1 (0.52) KDM4EALDH1A1MAPTNPC1HSD17B10
SCHEMBL4159114 0.78 NR4A2 (0.33) KDM4EALDH1A1MAPTMAPK1RAB9A
SCHEMBL4167886 0.77 NPC1 (0.65) KDM4EALDH1A1POLBMAPTNPC1
SCHEMBL4159233 0.74 ALDH1A1 (0.65) KDM4EALDH1A1ADORA2AADORA1POLB
SCHEMBL4166886 0.73 RAB9A (0.51) KDM4EALDH1A1ADORA2APOLBMAPT
SCHEMBL4173588 0.72 PTGS2 (0.38) KDM4EALDH1A1POLBMAPTNPC1
SCHEMBL4161696 0.72 CCNC (0.39) KDM4EALDH1A1MAPTNPC1HSD17B10
SCHEMBL25691020 0.72 KDM4E (0.56) KDM4EALDH1A1ADORA2AADORA1POLB
SCHEMBL2076088 0.72 NR4A2 (0.35) KDM4EALDH1A1POLBMAPTMAPK1

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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 KDM4E 2234/4885ALDH1A1 2743/4885ADORA2A 1812/4885

“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.