SCHEMBL6087341

SCHEMBL6087341

Nc1cnn(-c2cc(C(F)(F)F)c(C(F)(F)F)cn2)c1N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
AR P10275 2/20 0.33
CYP17A1 P05093 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6087521 0.74 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6087436 0.69 CYP17A1 (0.51) NPC1RAB9AMAPTCYP17A1
SCHEMBL6087480 0.69 SLC2A1 (0.35) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6088816 0.69 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6088231 0.68 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6088012 0.68 POLB (0.36) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL16712832 0.67 CA2 (0.45)
SCHEMBL6087888 0.66 NPC1 (0.31) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6087351 0.63 HSP90AA1 (0.40) NPC1RAB9ACYP17A1HPGD
SCHEMBL6086823 0.63 NCF1 (0.52) CYP17A1

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 NPC1 4634/4885RAB9A 4174/4885SMN1; SMN2 4667/4885

“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.