SCHEMBL7069490

SCHEMBL7069490

Nc1nn(CCO)c(CCO)c1N

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TKT P29401 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
SCHEMBL5433242 0.77 SCN5A (0.32)
SCHEMBL8036904 0.65 ADORA2A (0.32)
SCHEMBL7530961 0.64 CYP1A2 (0.31) CYP1A2
SCHEMBL8034847 0.64 TKT (0.32) TKT
SCHEMBL5414289 0.63 CSNK2A1 (0.35)
SCHEMBL5402381 0.63
SCHEMBL2953524 0.63 CYP1A2 (0.42) CYP1A2
SCHEMBL11576859 0.62 MAPT (0.54) CYP1A2
SCHEMBL12479057 0.61 GAA (0.56) CYP1A2
SCHEMBL21960277 0.61 CYP1A2 (0.41) CYP1A2TKT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618902-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES Wella Aktiengesellschaft (DE) 1994-10-12 EP claimed
WO-1994008969-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1994-04-28 WO claimed
US-20030000027-A1 Novel colorant combination HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-01-02 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-20030000027-A1 Novel colorant combination GPX4, PRDX3, NDUFS5 CYP1A2 157/4885TKT 3366/4885

“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.