SCHEMBL6087552

SCHEMBL6087552

Nc1cnn(-c2n[nH]c3nnc(-c4ccccc4)c(-c4ccccc4)c23)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
GSK3A P49840 2/20 0.46
CDK5 Q00535 2/20 0.46
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
RPS6KA5 O75582 1/20 0.46
CDK1 P06493 1/20 0.46
CSF1R P07333 1/20 0.46
PRKACA P17612 1/20 0.46
CDK2 P24941 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
CLK2 P49760 1/20 0.46
PKN2 Q16513 1/20 0.46
BRSK1 Q8TDC3 1/20 0.46
SLK Q9H2G2 1/20 0.46
SGK2 Q9HBY8 1/20 0.46
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL1226044 0.75 CDK5 (0.59) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL1459104 0.69 GSK3B (0.52) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL1227491 0.69 GSK3B (0.52) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL7255602 0.69 GSK3B (0.54) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL1226707 0.69 GSK3B (0.51) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL1227564 0.69 GSK3B (0.51) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL1227181 0.69 GSK3B (0.51) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL1226653 0.69 GSK3B (0.51) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL1226239 0.69 GSK3B (0.51) GSK3BGSK3ACDK5DYRK1ACLK4
SCHEMBL1460288 0.69 GSK3B (0.51) GSK3BGSK3ACDK5DYRK1ACLK4

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 GSK3B 1802/4885GSK3A 1893/4885CDK5 423/4885

“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.