SCHEMBL5405380

SCHEMBL5405380

CCn1ncc(N)c1NCCO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.34
JAK3 P52333 1/20 0.33
CDK1 P06493 1/20 0.33
XDH P47989 1/20 0.33
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNK O75909 1/20 0.30
CDK12 Q9NYV4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HASPIN Q8TF76 1/20 0.30

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
SCHEMBL5413624 0.88 JAK2 (0.34) JAK3CDK1XDHCYP2D6CYP2C19
SCHEMBL5406970 0.86 XDH (0.34) XDHCYP2D6CYP2C19HTTMEN1
SCHEMBL5707080 0.85 CYP1A2 (0.35) HRH4CDK1POLBCYP2D6CYP2C19
SCHEMBL5406801 0.84
SCHEMBL5405019 0.82 XDH (0.36) XDHHTTGAAKMT2AALDH1A1
SCHEMBL5399863 0.81 LMNA (0.32) CDK1ALDH1A1
SCHEMBL5418383 0.81 CDK1 (0.30) CDK1
SCHEMBL5444712 0.81 XDH (0.30) XDH
Bromide SCHEMBL6789790 0.81 XDH (0.35) XDHHTTGAAKMT2AHASPIN
SCHEMBL14445360 0.80 CNR1 (0.34) HRH4CDK1MAPK1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-20040143909-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL S.A. (FR) 2004-07-29 US disclosed
EP-1362036-A1 DIAMINOPYRAZOLE COMPOUNDS AND THE USE THEREOF IN THE OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP disclosed
WO-2002070489-A1 DIAMINOPYRAZOLE COMPOUNDS AND THE USE THEREOF IN THE OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2002-09-12 WO 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-20040143909-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres KRT18, TUBB3, AOC1 HRH4 475/4885JAK3 2606/4885CDK1 1912/4885

“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.