SCHEMBL13041017

SCHEMBL13041017

CC(=O)c1c(N)nc2n1CCCC2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
POLB P06746 3/20 0.40
MAPT P10636 1/20 0.38
TP53 P04637 3/20 0.36
SLC27A1 Q6PCB7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL13772455 0.85 HSD17B10 (0.60) MAPK1HTTHSD17B10PI4KAPI4K2B
SCHEMBL3738019 0.79 POLB (0.62) MAPK1HTTHSD17B10POLBMAPT
SCHEMBL22609113 0.78 MAPK1 (0.56) MAPK1HTTHSD17B10POLBMAPT
SCHEMBL6122317 0.77 MAPK1 (0.70) MAPK1HTTHSD17B10POLBMAPT
SCHEMBL31714775 0.74 POLB (0.67) MAPK1HTTHSD17B10POLBMAPT
SCHEMBL8311746 0.66 SLC27A1 (0.39) MAPK1HTTHSD17B10PI4KAPI4K2B
SCHEMBL23388117 0.65 MAPK1 (0.44) MAPK1POLBMAPTTP53KMT2A
SCHEMBL20379181 0.65 MAPK1 (0.61) MAPK1HTTHSD17B10POLBMAPT
SCHEMBL21818744 0.65 MAPK1 (0.40) MAPK1HTTHSD17B10POLBMAPT
SCHEMBL29876882 0.65 MEN1 (0.40) MAPK1HTTHSD17B10POLBSLC27A1

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-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US disclosed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 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-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 MAPK1 4012/4885HTT 709/4885HSD17B10 3066/4885

“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.