SCHEMBL6087451

SCHEMBL6087451

COc1ccc(Cl)c2c(-n3ncc(N)c3N)cc(C)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HSP90AA1 P07900 3/20 0.34
PDPK1 O15530 1/20 0.34
NR4A2 P43354 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
HSP90AB1 P08238 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGDS O60760 1/20 0.33
GAA P10253 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ILK Q13418 1/20 0.33
CRHR1 P34998 1/20 0.33
TP53 P04637 2/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
POLB P06746 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
SCHEMBL441437 0.78 MAPT (0.57) MAPTHSP90AA1PDPK1NR4A2NPC1
SCHEMBL438207 0.70 MAPT (0.53) MAPTHSP90AA1PDPK1NR4A2NPC1
SCHEMBL6088099 0.66 SMN1; SMN2 (0.43) MAPTNR4A2NPC1RAB9AMEN1
SCHEMBL2871982 0.65 MAPT (0.57) MAPTHSP90AA1NR4A2NPC1RAB9A
SCHEMBL6088581 0.64 LMNA (0.42) MAPTNR4A2RAB9AALDH1A1GAA
SCHEMBL6087496 0.64 LMNA (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL29091655 0.63 ALDH1A1 (0.43) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL439448 0.63 NR4A2 (0.59) MAPTHSP90AA1NR4A2HSP90AB1MEN1
SCHEMBL22320173 0.62 ATP4A (0.41) MAPTNPC1ALDH1A1GAAPOLB
SCHEMBL30365154 0.62 ATP4A (0.41) MAPTNPC1ALDH1A1GAAPOLB

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 MAPT 676/4885HSP90AA1 3221/4885PDPK1 2135/4885

“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.