SCHEMBL6086513

SCHEMBL6086513

Nc1cnn(-c2nccc3ccccc23)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
NCF1 P14598 2/20 0.47
F12 P00748 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BACE1 P56817 1/20 0.47
HRH4 Q9H3N8 1/20 0.44
HTR2C P28335 1/20 0.44
AXL P30530 1/20 0.40
COMT P21964 1/20 0.40
CYP2A6 P11509 1/20 0.40
SORD Q00796 2/20 0.37
PLG P00747 1/20 0.37
MALT1 Q9UDY8 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15824969 0.78 HRH4 (0.46) PLAUNCF1F12NOS3NOS1
SCHEMBL6086442 0.75 KDM4E (0.45) NOS3NOS1NOS2MALT1ALDH1A1
SCHEMBL10545578 0.74 NPC1 (0.64) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29927588 0.73 AXL (0.51) PLAUNCF1F12NOS3NOS1
SCHEMBL6087233 0.72 NCF1 (0.51) NCF1MALT1MAPTHTT
SCHEMBL16566305 0.72 PLAU (0.47) PLAUNCF1F12NOS3NOS1
SCHEMBL6088573 0.69 ALDH1A1 (0.47) NCF1ALDH1A1NPC1MAPTRAB9A
SCHEMBL3252316 0.68 RAB9A (0.52) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL6087436 0.68 CYP17A1 (0.51) BACE1AXLNPC1MAPTRAB9A
SCHEMBL5202901 0.67 COMT (0.58) PLAUNCF1F12NOS3NOS1

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 PLAU 4213/4885NCF1 2196/4885F12 241/4885

“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.