SCHEMBL6087508

SCHEMBL6087508

Nc1cnn(-c2cnc3ccccc3n2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.44
MAPT P10636 8/20 0.44
RAB9A P51151 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
HTR3A P46098 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
PDE10A Q9Y233 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL3252316 0.74 RAB9A (0.52) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL29929130 0.73 NPC1 (0.44) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL3873113 0.73 PI4KA (0.61) NPC1MAPTRAB9AALDH1A1HPGD
Hydrochloric Acid SCHEMBL5415490 0.72 RAB9A (0.51) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL6088573 0.71 ALDH1A1 (0.47) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL21788594 0.70 NPC1 (0.44) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL6087868 0.70 HRH4 (0.48) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL6088113 0.69 CDC7 (0.44) HRH4
SCHEMBL1753026 0.69 NPC1 (0.63) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL6087110 0.68 HTR3E (0.41) NPC1MAPTRAB9AALDH1A1HPGD

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 4634/4885MAPT 676/4885RAB9A 4174/4885

“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.