SCHEMBL6088573

SCHEMBL6088573

Nc1cnn(-c2c3ccccc3nc3ccccc23)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ACHE P22303 2/20 0.47
MAOA P21397 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
NQO2 P16083 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL1753026 0.74 NPC1 (0.63) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6087233 0.72 NCF1 (0.51) OPRM1KCNH2LMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL3034866 0.72 NPC1 (0.61) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6087508 0.71 NPC1 (0.44) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6086513 0.69 PLAU (0.47) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6087868 0.68 HRH4 (0.48) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL6087168 0.66 KDM4E (0.42) ALDH1A1HPGDKDM4EGLASMN1; SMN2
Aminacrine SCHEMBL14999 0.66 HSD17B10 (1.00) ALDH1A1HPGDKDM4EGLAHSD17B10
Aminacrine SCHEMBL29354393 0.66 HSD17B10 (1.00) ALDH1A1HPGDKDM4EGLAHSD17B10
SCHEMBL10061817 0.64 SMN1; SMN2 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A

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 ALDH1A1 85/4885HPGD 356/4885KDM4E 1495/4885

“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.