SCHEMBL5371995

SCHEMBL5371995

Nc1cnc(-c2ccccc2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 7/20 0.61
NPY5R Q15761 3/20 0.61
PIN1 Q13526 1/20 0.53
HPGDS O60760 7/20 0.52
MASP2 O00187 1/20 0.48
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL28047898 0.79 SCN2A (0.38) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL16090411 0.78 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSMASP2
SCHEMBL7378581 0.77 HRH1 (0.42) SCN2ANPY5RPIN1HPGDSKDM4E
SCHEMBL4147458 0.76 RECQL (0.58) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL7380282 0.76 SCN2A (0.63) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL2174976 0.76 SCN2A (1.00) SCN2ANPY5RHPGDSMASP2
SCHEMBL2449258 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL11013182 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL535044 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL236656 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL

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 9 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
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO 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 (2 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-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 SCN2A 3083/4885NPY5R 468/4885PIN1 2452/4885
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers KRT18, VIM, NDUFS6 SCN2A 3404/4885NPY5R 3942/4885PIN1 1206/4885

“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.