SCHEMBL6087199

SCHEMBL6087199

Cc1cc(-n2ncc(N)c2N)nc2[nH]nc(N)c12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4857909 0.71 SMN1; SMN2 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6088254 0.70 KDM4E (0.40) SMN1; SMN2NPC1MAPTTSHRALDH1A1
SCHEMBL16680860 0.65 HSP90AA1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13329255 0.63 MAPT (0.49) MAPTALDH1A1POLB
SCHEMBL6088510 0.62 SLC2A1 (0.47) CYP1A2CYP2C19SMN1; SMN2NPC1MAPT
SCHEMBL13329259 0.62 PRKDC (0.42) CYP1A2CYP2D6CYP2C19SMN1; SMN2NPC1
SCHEMBL13329263 0.59 HSP90AA1 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16680727 0.58 NOS2 (0.45)
SCHEMBL3255793 0.58 HTT (0.49) SMN1; SMN2NPC1MAPTALDH1A1NPSR1
SCHEMBL3249550 0.58 MAPT (0.47) SMN1; SMN2NPC1MAPTTSHRALDH1A1

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 4 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

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 CYP1A2 250/4885CYP2D6 133/4885CYP2C9 357/4885

“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.