SCHEMBL6087909

SCHEMBL6087909

Nc1cnn(-c2cccc(F)n2)c1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
ALOX5 P09917 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
IRAK4 Q9NWZ3 8/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAP4K1 Q92918 1/20 0.33
CYP17A1 P05093 1/20 0.32

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
SCHEMBL6087110 0.79 HTR3E (0.41) MAPTNPC1RAB9ANFKB1ALOX5
SCHEMBL9601050 0.74 NPC1 (0.52) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10515120 0.72 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3252316 0.71 RAB9A (0.52) MAPTNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6087752 0.70 RAB9A (0.51) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6087563 0.70 CYP17A1 (0.41) NPC1RAB9ACYP17A1
SCHEMBL6088113 0.70 CDC7 (0.44)
Hydrochloric Acid SCHEMBL5415490 0.70 RAB9A (0.51) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6087508 0.68 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL17441195 0.67 IRAK4 (0.62) MAPTIRAK4

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 4 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

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 MAPT 676/4885NPC1 4634/4885RAB9A 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.