SCHEMBL5376019

SCHEMBL5376019

Cn1c(N)cnc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
LIMK1 P53667 2/20 0.46
MAPK14 Q16539 2/20 0.46
CDK8 P49336 2/20 0.46
ACVR1 Q04771 2/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
RET P07949 1/20 0.46

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
SCHEMBL25216615 0.82 MEN1 (0.42) HPGDSFYNMAPK9MAPTCYP11B1
SCHEMBL8453399 0.79 HPGDS (0.58) HPGDSCYP1A2CYP3A4CYP2D6ADORA3
SCHEMBL822807 0.78 HPGDS (0.77) HPGDSCYP1A2CYP3A4CYP2D6CDK5
SCHEMBL27322957 0.76 HPGDS (0.54) HPGDSCYP1A2CYP3A4CYP2D6ADORA3
SCHEMBL28069527 0.76 HPGDS (0.54) HPGDSCYP1A2CYP3A4CYP2D6ADORA3
SCHEMBL8306426 0.76 HPGDS (0.54) HPGDSCYP1A2CYP3A4CYP2D6LIMK1
SCHEMBL27216943 0.76 HPGDS (0.54) HPGDSCYP1A2CYP3A4CYP2D6ADORA3
SCHEMBL5378064 0.74 PI4KA (0.51) CYP1A2CYP3A4CYP2D6ADORA3ADORA2A
Hydrochloric Acid SCHEMBL3537763 0.74 HPGDS (0.53) HPGDSCYP1A2CYP3A4CYP2D6ADORA3
SCHEMBL13843725 0.74 HPGDS (0.53) HPGDSCYP1A2CYP3A4CYP2D6ADORA3

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 HPGDS 1550/4885CYP1A2 1784/4885CYP3A4 1364/4885

“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.