SCHEMBL2901858

SCHEMBL2901858

CCN(CC)CCCNc1nnc(-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
TSHR P16473 1/20 0.51
TP53 P04637 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 4/20 0.43
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
NSD2 O96028 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CACNA2D1 P54289 1/20 0.41
TOP2A P11388 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2907773 0.89 GAA (0.65) GAATSHRTP53POLBNPC1
SCHEMBL2905024 0.86 GAA (0.58) GAATSHRMAPTLMNAHTT
SCHEMBL2907150 0.86 GAA (0.55) GAATSHRTP53POLBMAPT
SCHEMBL13886050 0.85 GAA (0.54) GAATSHRTP53POLBNPC1
SCHEMBL2902341 0.84 GAA (0.58) GAATSHRTP53POLBNPC1
SCHEMBL2901399 0.82 GAA (0.56) GAATSHRPOLBNPC1RAB9A
SCHEMBL2907735 0.80 GAA (0.54) GAATSHRPOLBNPC1RAB9A
SCHEMBL2908982 0.80 GAA (0.53) GAATSHRPOLBNPC1RAB9A
SCHEMBL2905932 0.79 GAA (0.52) GAATSHRNPC1RAB9AMAPT
SCHEMBL2902665 0.79 GAA (0.49) GAATSHRPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874761-B1 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA SA (FR) 2010-08-18 EP claimed
EP-1874761-B1 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA SA (FR) 2010-08-18 EP disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
EP-1874761-A2 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Aventis Pharma S.A. (FR) 2008-01-09 EP disclosed
WO-2006111662-A2 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA S.A. (FR) 2006-10-26 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-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R GAA 1439/4885TSHR 26/4885TP53 1979/4885

“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.