SCHEMBL5374567

SCHEMBL5374567

CNc1c(Cl)nc(-c2ccccc2)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
CDK2 P24941 1/20 0.42
PLK1 P53350 1/20 0.42
BTK Q06187 1/20 0.42
ITK Q08881 1/20 0.42
IKBKE Q14164 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
ATM Q13315 1/20 0.41
ADORA2B P29275 3/20 0.40
ADORA2A P29274 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DHODH Q02127 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 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
SCHEMBL5375998 0.82 DHODH (0.43) DHODHLMNATLR7HTT
SCHEMBL5372896 0.82 KDM4E (0.42) HSD11B1RAB9AADORA1LMNA
SCHEMBL5366123 0.81 AVPR1A (0.44) NR1H2NR1H3ADORA1PI4KAPI4K2B
SCHEMBL5374571 0.76 IKBKB (0.48) HSD11B1IKBKBCHUKCDK2PLK1
SCHEMBL5375126 0.75 ADORA2A (0.47) HSD11B1NR1H2NR1H3ATMADORA2B
SCHEMBL5372951 0.72 HPGD (0.43) HSD11B1IKBKBCHUKCDK2PLK1
SCHEMBL1922378 0.71 ADORA2B (0.42) HSD11B1NR1H2NR1H3ATMADORA2B
SCHEMBL2256908 0.70 CYP1A2 (0.43) HSD11B1ADORA2BADORA2ADHODHADORA3
SCHEMBL1922077 0.70 P2RX7 (0.47) HSD11B1NR1H2NR1H3ADORA2BADORA2A
SCHEMBL3613275 0.69 L3MBTL1 (0.46) ATMADORA2BADORA2ADHODHP2RX7

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 HSD11B1 4150/4885IKBKB 1683/4885CHUK 1705/4885

“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.