SCHEMBL5375130

SCHEMBL5375130

Cn1c(-c2ccccc2)nc(N)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.51
ADORA2B P29275 3/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADORA1 P30542 2/20 0.51
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
HSD11B1 P28845 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42

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
SCHEMBL5375126 0.78 ADORA2A (0.47) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL5367545 0.76 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL5374571 0.75 IKBKB (0.48) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL5372952 0.75 ADORA2B (0.43) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL5382991 0.75 ADORA1 (0.44) ADORA2AADORA2BADORA3ADORA1KDM4E
SCHEMBL5387375 0.71 NPY5R (0.48) ADORA2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5369275 0.70 NPY5R (0.50) ADORA2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL38655924 0.69 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL5366140 0.69
SCHEMBL5372900 0.68 ALDH1A1 (0.47) NPC1RAB9AKDM4EALDH1A1GAA

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 ADORA2A 4607/4885ADORA2B 4448/4885ADORA3 4352/4885

“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.