SCHEMBL2907773

SCHEMBL2907773

CCN(CC)CCCNc1nnc(-c2ccc(C)cc2)c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.40
ACKR3 P25106 2/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
NSD2 O96028 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL2901858 0.89 GAA (0.63) GAATSHRALDH1A1POLBTP53
SCHEMBL2905024 0.87 GAA (0.58) GAATSHRALDH1A1MAPTLMNA
SCHEMBL2902341 0.83 GAA (0.58) GAATSHRPOLBKCNH2TP53
SCHEMBL2907150 0.80 GAA (0.55) GAATSHRPOLBTP53MAPT
SCHEMBL13886050 0.79 GAA (0.54) GAATSHRALDH1A1POLBTP53
SCHEMBL2901399 0.77 GAA (0.56) GAATSHRALDH1A1POLBMAPT
SCHEMBL2907735 0.75 GAA (0.54) GAATSHRALDH1A1POLBMAPT
SCHEMBL2908982 0.74 GAA (0.53) GAATSHRALDH1A1POLBMAPT
SCHEMBL2905932 0.73 GAA (0.52) GAATSHRALDH1A1MAPTRAB9A
SCHEMBL2902665 0.71 GAA (0.49) GAATSHRALDH1A1POLBMAPT

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 26/4885ALDH1A1 287/4885

“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.