SCHEMBL6087464

SCHEMBL6087464

Nc1cnn(-c2ccnc3cc(Cl)ccc23)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.56
SOS2 Q07890 1/20 0.56
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CHKA P35790 1/20 0.51
ADRB2 P07550 1/20 0.49
NCF1 P14598 1/20 0.49
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
PDE4D Q08499 1/20 0.46
KCNH2 Q12809 1/20 0.46
PDE3A Q14432 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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 0.86 NR4A2 (0.37) NR4A2SOS2PKMALOX15CASP1
SCHEMBL6087414 0.83 HTR1A (0.41) NR4A2SOS2PKMALOX15CASP1
SCHEMBL6087051 0.83 ALK (0.39) NR4A2SOS2PKMALOX15CASP1
SCHEMBL6087000 0.83 FERMT2 (0.41) NR4A2SOS2PKMALOX15CASP1
SCHEMBL7744884 0.83 PKM (0.47) NR4A2SOS2PKMALOX15CASP1
SCHEMBL6087385 0.80 HTR1A (0.45) NCF1KCNH2GAA
SCHEMBL6086655 0.80 NOS3 (0.39) NR4A2SOS2PKMALOX15CASP1
SCHEMBL1491099 0.80 NR4A2 (0.55) NR4A2SOS2PKMALOX15CASP1
SCHEMBL6087233 0.80 NCF1 (0.51) ADRB2NCF1KMT2AOPRK1KCNH2
SCHEMBL596040 0.73 NR4A2 (1.00) NR4A2SOS2PKMALOX15CASP1

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 NR4A2 2574/4885SOS2 3863/4885PKM 396/4885

“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.