SCHEMBL6086644

SCHEMBL6086644

Nc1cnn(-c2ccsc2)c1N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
RIPK2 O43353 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK14 Q16539 2/20 0.32
TDO2 P48775 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3252312 0.72 RAB9A (0.44) RAB9ANPC1RIPK2MEN1KMT2A
SCHEMBL1753026 0.72 NPC1 (0.63) RAB9ANPC1GAARIPK2MEN1
Hydrochloric Acid SCHEMBL3034866 0.71 NPC1 (0.61) RAB9ANPC1GAARIPK2MEN1
SCHEMBL6086540 0.71 NPC1 (0.43) RAB9ANPC1GAARIPK2MEN1
SCHEMBL13790276 0.69 KDM4E (0.64) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL3251404 0.69 RAB9A (0.56) RAB9ANPC1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5413922 0.68 RAB9A (0.54) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6088244 0.68 NPC1 (0.37) RAB9ANPC1RIPK2MEN1KMT2A
SCHEMBL5011591 0.67 XDH (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6087456 0.67 CYP1A2 (0.34) RAB9ANPC1RIPK2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056354-B2 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratinous fibers L'OREAL (FR) 2006-06-06 US claimed
US-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers L'OREAL (FR) 2004-12-23 US claimed
EP-1412348-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-04-28 EP claimed
WO-2003008405-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-01-30 WO claimed
US-7056354-B2 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratinous fibers L'OREAL (FR) 2006-06-06 US 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-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers KRT18, AOC1, XRCC5 RAB9A 4174/4885NPC1 4634/4885GAA 3932/4885

“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.