SCHEMBL5654249

SCHEMBL5654249

Nc1c(N=O)cnn1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
IRAK4 Q9NWZ3 3/20 0.42
CYP17A1 P05093 2/20 0.40
FLT3 P36888 6/20 0.40
MAP4K4 O95819 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
CLK2 P49760 2/20 0.40
CDK5 Q00535 2/20 0.40
MAP4K2 Q12851 2/20 0.40
ROCK1 Q13464 2/20 0.40
DYRK1A Q13627 2/20 0.40
AURKB Q96GD4 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL3252316 0.78 RAB9A (0.52) MAPTRAB9ANPC1TP53HPGD
SCHEMBL5655520 0.77 CYP1A2 (0.43) MAPTRAB9ANPC1TP53HPGD
SCHEMBL5654736 0.77 CYP1A2 (0.43) MAPTRAB9ANPC1TP53HPGD
Hydrochloric Acid SCHEMBL6087752 0.77 RAB9A (0.51) MAPTRAB9ANPC1TP53HPGD
SCHEMBL2119714 0.77 RAB9A (0.54) RAB9ANPC1HPGDMAPK14SMN1; SMN2
Hydrochloric Acid SCHEMBL5415490 0.77 RAB9A (0.51) MAPTRAB9ANPC1TP53HPGD
Hydrochloric Acid SCHEMBL11094598 0.76 RAB9A (0.53) RAB9ANPC1HPGDMAPK14SMN1; SMN2
SCHEMBL8559135 0.76 RAB9A (0.50) MAPTRAB9ANPC1TP53HPGD
SCHEMBL10366780 0.74 NPC1 (0.66) MAPTRAB9ANPC1TP53HPGD
SCHEMBL1691489 0.74 RAB9A (0.66) MAPTRAB9ANPC1TP53HPGD

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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
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
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 disclosed
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 disclosed
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 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 (2 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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 MAPT 857/4885RAB9A 3691/4885NPC1 4751/4885
US-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers KRT18, AOC1, XRCC5 MAPT 676/4885RAB9A 4174/4885NPC1 4634/4885

“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.