SCHEMBL13645813

SCHEMBL13645813

CC(=O)NC(C)C(=O)N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PREP P48147 1/20 0.44
FAP Q12884 1/20 0.44
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.40
ACACB O00763 1/20 0.40
CYP2C19 P33261 1/20 0.39
MBOAT4 Q96T53 1/20 0.38
CHRM1 P11229 2/20 0.37
CHRM3 P20309 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
SCHEMBL22979670 0.85 HSD17B10 (0.45) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL22979668 0.85 HSD17B10 (0.45) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL17282576 0.84 PREP (0.50) PREPFAPACACBMBOAT4
SCHEMBL17991731 0.82 PREP (0.49) PREPFAPALDH1A1ACACBMBOAT4
SCHEMBL14365687 0.81 CYP1A2 (0.41) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL14365733 0.81 CYP1A2 (0.41) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL25533933 0.80 CYP1A2 (0.44) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL24709908 0.78 PREP (0.45) PREPFAPACACBMBOAT4
SCHEMBL14771694 0.78 ALDH1A1 (0.58) PREPFAPKDM4EALDH1A1NPC1
SCHEMBL4791635 0.78 HRH2 (0.49) PREPTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 CYP1A2 1987/4885TDP1 1223/4885PREP 1285/4885

“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.