SCHEMBL3368866

SCHEMBL3368866

N#CC(C#N)=Cc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.60
APP P05067 3/20 0.47
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.42
CISD1 Q9NZ45 2/20 0.41
THRB P10828 1/20 0.41
IGF1R P08069 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
SCHEMBL13485322 0.79 MAPT (0.52) APPMAPTKMT2AALDH1A1MEN1
SCHEMBL14964888 0.77 MAPT (0.51) APPMAPTKMT2AALDH1A1MEN1
SCHEMBL8458208 0.77 TRPA1 (0.62) TRPA1APPMAPTKMT2AALDH1A1
SCHEMBL3369333 0.75 MAPT (0.63) TRPA1APPMAPTKMT2AALDH1A1
SCHEMBL3369090 0.75 TRPA1 (0.60) TRPA1APPMAPTKMT2AALDH1A1
SCHEMBL29740451 0.75 TRPA1 (0.60) TRPA1APPMAPTKMT2AALDH1A1
SCHEMBL17466935 0.75 TRPA1 (0.60) TRPA1APPMAPTKMT2AALDH1A1
SCHEMBL29404696 0.75 TRPA1 (1.00) TRPA1APPMAPTKMT2AALDH1A1
SCHEMBL436060 0.75 TRPA1 (1.00) TRPA1APPMAPTKMT2AALDH1A1
SCHEMBL28440496 0.74 MCL1 (0.60) MAPTKMT2AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4345142-A None JP disclosed
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
CN-110092734-B Tandem synthesis method of 2- (phenylmethylene) malononitrile or derivatives thereof 华侨大学 2021-12-31 CN disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
CN-110818592-A Tandem reaction synthesis method of 2- (phenylmethylene) malononitrile or derivatives thereof 华侨大学 2020-02-21 CN disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
EP-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 US disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 WO disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed
JP-H04345142-A NONLINEAR OPTICAL MATERIAL MATSUSHITA ELECTRIC IND CO LTD 1992-12-01 JP 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-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 TRPA1 3965/4885APP 3914/4885MAPT 4559/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK TRPA1 3259/4885APP 3607/4885MAPT 4458/4885

“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.