SCHEMBL5378068

SCHEMBL5378068

Nc1cn(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.48
GABRB2 P47870 3/20 0.48
PTGS2 P35354 3/20 0.46
PTGS1 P23219 1/20 0.46
PI4KA P42356 2/20 0.41
PI4K2B Q8TCG2 2/20 0.41
PI4K2A Q9BTU6 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KMT2A Q03164 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
CDK1 P06493 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
ABL2 P42684 1/20 0.41

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
SCHEMBL5366242 0.78 DDB1 (0.44) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL14513798 0.78 GABRA2 (0.53) GABRA2GABRB2PTGS2PTGS1ADORA1
SCHEMBL82549 0.78 PTGS1 (0.62) GABRA2GABRB2PTGS2PTGS1KMT2A
SCHEMBL5376023 0.74 NPC1 (0.44) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL476456 0.74 GABRA2 (0.63) GABRA2GABRB2PTGS2PTGS1ADORA3
SCHEMBL14513797 0.73 PTGS2 (0.52) GABRA2GABRB2PTGS2
SCHEMBL14513799 0.73 PTGS2 (0.53) GABRA2GABRB2PTGS2PTGS1
SCHEMBL5374755 0.73 GABRA2 (0.48) GABRA2GABRB2PTGS2PTGS1EGFR
SCHEMBL14513800 0.73 PTGS2 (0.53) GABRA2GABRB2PTGS2PTGS1
SCHEMBL5374967 0.73 GABRA2 (0.48) GABRA2GABRB2PTGS2PTGS1KMT2A

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 GABRA2 3663/4885GABRB2 2763/4885PTGS2 1473/4885

“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.