SCHEMBL5366242

SCHEMBL5366242

Cc1nc(N)cn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 3/20 0.40
ADORA1 P30542 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
BLM P54132 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL12247671 0.79 GRM5 (0.49) DDB1CRBNGRM5ALDH1A1ADORA1
SCHEMBL5378068 0.78 GABRA2 (0.48) ADORA1ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL2378788 0.76 GRM5 (0.43) DDB1CRBNGRM5ALDH1A1ADORA1
SCHEMBL27997348 0.76 GRM5 (0.43) DDB1CRBNGRM5ALDH1A1HSD17B10
SCHEMBL11856799 0.76 GRM5 (0.43) DDB1CRBNGRM5ALDH1A1ADORA1
SCHEMBL14007394 0.74 SMN1; SMN2 (0.48) DDB1CRBNGRM5ALDH1A1HSD17B10
SCHEMBL4300804 0.74 DDB1 (0.39) DDB1CRBNGRM5ALDH1A1ADORA1
SCHEMBL21668017 0.73 GRM5 (0.41) DDB1CRBNGRM5ALDH1A1HSD17B10
SCHEMBL5374700 0.73 GRM5 (0.41) DDB1CRBNGRM5ALDH1A1HSD17B10
SCHEMBL5377724 0.73 GRM5 (0.41) DDB1CRBNGRM5ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US claimed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US claimed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 EP claimed
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US disclosed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US disclosed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 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-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers KRT18, VIM, NDUFS6 DDB1 1390/4885CRBN 1586/4885GRM5 3386/4885

“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.