SCHEMBL6086590

SCHEMBL6086590

Nc1cnn(-c2c(Cl)cncc2Cl)c1N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ADRB2 P07550 1/20 0.36
CYP3A4 P08684 1/20 0.33
MAPK14 Q16539 1/20 0.30
CDK2 P24941 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL2988609 0.68 RAB9A (0.56) MEN1NPC1RAB9AKMT2A
SCHEMBL6086245 0.65 HSP90AA1 (0.37)
SCHEMBL6086540 0.65 NPC1 (0.43) GAACYP3A4MAPK14MEN1NPC1
SCHEMBL6087360 0.64 MEN1 (0.35) MEN1KMT2A
SCHEMBL6087110 0.63 HTR3E (0.41) CYP3A4MEN1NPC1RAB9AKMT2A
SCHEMBL6088573 0.63 ALDH1A1 (0.47) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL15779347 0.63 ADRB2 (0.52) GAAADRB2CYP3A4MEN1KMT2A
SCHEMBL6087351 0.63 HSP90AA1 (0.40) CDK2NPC1RAB9A
SCHEMBL1753026 0.63 NPC1 (0.63) GAACYP3A4MAPK14MEN1NPC1
SCHEMBL3252312 0.63 RAB9A (0.44) MAPK14MEN1NPC1RAB9AKMT2A

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 GAA 3932/4885ADRB2 2538/4885CYP3A4 237/4885

“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.