SCHEMBL5374571

SCHEMBL5374571

CNc1nc(-c2ccccc2)n(C)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
CDK2 P24941 1/20 0.48
PLK1 P53350 1/20 0.48
BTK Q06187 1/20 0.48
ITK Q08881 1/20 0.48
IKBKE Q14164 1/20 0.48
HSD11B1 P28845 2/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
ATM Q13315 1/20 0.41
ADORA2A P29274 4/20 0.40
ADORA2B P29275 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA3 P0DMS8 3/20 0.39
ADORA1 P30542 3/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 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
SCHEMBL5366127 0.80 AVPR1A (0.42) IKBKBCHUKCDK2PLK1BTK
SCHEMBL5376001 0.79 DHODH (0.43) IKBKBCHUKCDK2PLK1BTK
SCHEMBL5372900 0.79 ALDH1A1 (0.47) IKBKBCHUKNPC1RAB9AKDM4E
SCHEMBL5374567 0.76 HSD11B1 (0.42) IKBKBCHUKCDK2PLK1BTK
SCHEMBL5375130 0.75 ADORA2A (0.51) HSD11B1NR1H2NR1H3ATMADORA2A
SCHEMBL5372952 0.72 ADORA2B (0.43) HSD11B1NR1H2NR1H3ATMADORA2A
SCHEMBL5366008 0.69 MAPK1 (0.46) NPC1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5387375 0.69 NPY5R (0.48) ADORA2AKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL5375126 0.68 ADORA2A (0.47) HSD11B1NR1H2NR1H3ATMADORA2A
SCHEMBL5369275 0.68 NPY5R (0.50) ADORA2AKDM4ESMN1; SMN2ALDH1A1HPGD

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 IKBKB 1683/4885CHUK 1705/4885CDK2 2055/4885

“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.