SCHEMBL13664141

SCHEMBL13664141

Cn1c(=O)nc2ccccn2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
GLA P06280 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ADORA3 P0DMS8 3/20 0.48
ADORA1 P30542 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL12012168 0.77 HSD17B10 (0.44) KDM4EGLAHSD17B10ALDH1A1GAA
SCHEMBL13063803 0.75 ADORA3 (0.46) KDM4EGLAHSD17B10ALDH1A1GAA
SCHEMBL3526421 0.73 ADORA3 (0.44) KDM4EGLAHSD17B10ALDH1A1GAA
SCHEMBL18161341 0.72 HSD17B10 (0.57) KDM4EGLAHSD17B10ALDH1A1GAA
SCHEMBL19670605 0.72 NPC1 (0.43) KDM4EGLAHSD17B10ALDH1A1GAA
SCHEMBL23076034 0.70 KDM4E (0.50) KDM4EGLAHSD17B10ALDH1A1GAA
SCHEMBL9811893 0.70 ADORA3 (0.42) KDM4EGLAHSD17B10ALDH1A1GAA
SCHEMBL8242911 0.67 HTR1A (0.48) KDM4EHSD17B10ALDH1A1HPGDADORA3
SCHEMBL17297885 0.67 KDM4E (0.48) KDM4EGLAHSD17B10ALDH1A1GAA
SCHEMBL22144516 0.67 KDM4E (0.48) KDM4EGLAHSD17B10ALDH1A1GAA

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-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 KDM4E 2348/4885GLA 4214/4885HSD17B10 2731/4885

“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.