SCHEMBL3154702

SCHEMBL3154702

CN(C)C(=O)CCOc1c[c]ccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.40
LTA4H P09960 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CYP2D6 P10635 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNH2 Q12809 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3170270 0.93 PDK2 (0.46) PDK2SMN1; SMN2LTA4HCYP2D6NPC1
SCHEMBL2224049 0.84 SMN1; SMN2 (0.58) PDK2SMN1; SMN2NPC1MAPK1HSD17B10
SCHEMBL6311799 0.81 L3MBTL1 (0.50) PDK2LTA4HLMNAALOX15TSHR
SCHEMBL3127329 0.81 CCNC (0.43) PDK2SMN1; SMN2ALOX5LTA4HCCNC
SCHEMBL3161388 0.78 PDK2 (0.46) PDK2CCNCCDK8LMNA
SCHEMBL3170001 0.77 BRD4 (0.50) PDK2SMN1; SMN2LTA4HNPC1TSHR
SCHEMBL3160976 0.77 PDK2 (0.47) PDK2SMN1; SMN2LTA4H
SCHEMBL7003433 0.76 L3MBTL1 (0.42) PDK2SMN1; SMN2LTA4HNPC1LMNA
SCHEMBL6314345 0.76 FFAR4 (0.50) PDK2TSHR
SCHEMBL5704638 0.76 KCNA3 (0.42) SMN1; SMN2LTA4HMAPK1

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
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP 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
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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 PDK2 1705/4885SMN1; SMN2 3178/4885ALOX5 2214/4885

“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.