SCHEMBL6087385

SCHEMBL6087385

COc1ccc2c(-n3ncc(N)c3N)ccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
FERMT2 Q96AC1 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRM4 Q14833 1/20 0.44
GAA P10253 1/20 0.43
TLR8 Q9NR97 1/20 0.43
NCF1 P14598 1/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
KDR P35968 2/20 0.39
MET P08581 2/20 0.39
AURKA O14965 1/20 0.39
TEK Q02763 1/20 0.39
AURKB Q96GD4 1/20 0.39
NOS3 P29474 1/20 0.39

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
SCHEMBL6087414 0.83 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BNOS3
SCHEMBL6087441 0.82 NR4A2 (0.37) KCNH2NCF1KDM4E
SCHEMBL6087000 0.80 FERMT2 (0.41) FERMT2GRM4GAK
SCHEMBL6087464 0.80 NR4A2 (0.56) KCNH2GAANCF1
SCHEMBL6087051 0.80 ALK (0.39) NCF1GAKCYP2C19
SCHEMBL6086655 0.80 NOS3 (0.39) KCNH2NOS3NOS1NOS2
SCHEMBL6087233 0.76 NCF1 (0.51) KCNH2GRM4NCF1PTGDR2
SCHEMBL3841526 0.76 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL5133941 0.71 GAA (0.63) HTR1AADRA1DADRA1AADRA1BGAA
Hydrochloric Acid SCHEMBL5035840 0.70 GAA (0.62) HTR1AADRA1DADRA1AADRA1BGAA

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 HTR1A 3610/4885ADRA1D 3236/4885ADRA1A 2779/4885

“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.