SCHEMBL5402337

SCHEMBL5402337

CCn1ncc(N)c1NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.36
XDH P47989 1/20 0.34
HASPIN Q8TF76 1/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ATM Q13315 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
AOC1 P19801 1/20 0.30
AOC3 Q16853 1/20 0.30
HTT P42858 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE7B Q9NP56 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
SCHEMBL5401484 0.86 POLB (0.33) BCDIN3D
SCHEMBL5441226 0.81 LMNA (0.34)
SCHEMBL5431674 0.81 CSNK2A1 (0.30)
SCHEMBL5446737 0.80 ADORA2A (0.30)
SCHEMBL14357635 0.79
SCHEMBL5405131 0.79 PIK3CD (0.30)
SCHEMBL14357611 0.79
SCHEMBL5405019 0.78 XDH (0.36) XDHHASPINKMT2AGAAHTT
SCHEMBL5448355 0.78 MAP2K1 (0.32)
SCHEMBL5410623 0.77 MAPT (0.38) BCDIN3DXDHKMT2AMEN1NPC1

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 BCDIN3D 859/4885XDH 1593/4885HASPIN 3450/4885

“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.