SCHEMBL6087233

SCHEMBL6087233

Nc1cnn(-c2ccnc3ccccc23)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.51
ADRB2 P07550 1/20 0.44
GRM4 Q14833 4/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
AR P10275 1/20 0.40
SLC9A1 P19634 3/20 0.40
PDE10A Q9Y233 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MALT1 Q9UDY8 3/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL6087441 0.82 NR4A2 (0.37) NCF1ADRB2KCNH2MEN1HSP90AA1
SCHEMBL6087000 0.80 FERMT2 (0.41) GRM4
SCHEMBL6087414 0.80 HTR1A (0.41) SLC9A1MEN1MAPTHTTBLM
SCHEMBL6087051 0.80 ALK (0.39) NCF1ADRB2HTT
SCHEMBL6087464 0.80 NR4A2 (0.56) NCF1ADRB2KCNH2MEN1MAPT
SCHEMBL6086655 0.76 NOS3 (0.39) KCNH2MEN1KMT2A
SCHEMBL6087385 0.76 HTR1A (0.45) NCF1GRM4PTGDR2KCNH2
SCHEMBL6086823 0.74 NCF1 (0.52) NCF1PTGDR2MALT1MEN1KMT2A
SCHEMBL6088573 0.72 ALDH1A1 (0.47) NCF1KCNH2MEN1LMNAMAPT
SCHEMBL6086513 0.72 PLAU (0.47) NCF1MALT1MAPTHTT

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 NCF1 2196/4885ADRB2 2538/4885GRM4 4398/4885

“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.