SCHEMBL3369340

SCHEMBL3369340

CCc1ccc(C=C(C#N)C#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.68
ALDH1A1 P00352 10/20 0.68
MAPT P10636 10/20 0.68
MEN1 O00255 9/20 0.68
KDM4E B2RXH2 6/20 0.68
NPSR1 Q6W5P4 4/20 0.68
LMNA P02545 4/20 0.68
POLB P06746 1/20 0.68
HPGD P15428 5/20 0.60
THRB P10828 1/20 0.59
CISD1 Q9NZ45 1/20 0.59
EGFR P00533 6/20 0.57
CYP3A4 P08684 4/20 0.56
TSHR P16473 4/20 0.56
NFKB1 P19838 4/20 0.56
BLM P54132 4/20 0.56
PMP22 Q01453 4/20 0.56
CYP1A2 P05177 3/20 0.56
APEX1 P27695 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.48

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
SCHEMBL29227377 0.85 KMT2A (0.63) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL17466932 0.82 MAPT (1.00) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL27607147 0.82 ALDH1A1 (0.59) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL11523648 0.80 KMT2A (0.68) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL11503795 0.80 KMT2A (0.68) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL14388449 0.80 KMT2A (0.68) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL28283198 0.79 ESR1 (0.62) KMT2AALDH1A1MAPTKDM4ENPSR1
SCHEMBL8543974 0.79 KMT2A (0.61) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL21457152 0.78 KMT2A (0.48) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL11583675 0.77 KMT2A (0.63) KMT2AALDH1A1MAPTMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
CN-110248971-A Copolymer and the optical film for using the copolymer 东曹株式会社 2019-09-17 CN disclosed
US-20110245429-A1 Cross Linked Organic Conductive Layer GOUGH, NEIL (GB) 2011-10-06 US disclosed
EP-1498888-B1 Optical information recording medium FUJIFILM CORP (JP) 2011-01-19 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
CN-1560029-A Substituting Cis-1,2-dicyano vinyl and synthesis process thereof 黑龙江大学 2005-01-05 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KMT2A 3893/4885ALDH1A1 152/4885MAPT 4559/4885
US-20110245429-A1 Cross Linked Organic Conductive Layer GJB2, GJA1, KCNH3 KMT2A 1697/4885ALDH1A1 1830/4885MAPT 1700/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK KMT2A 3650/4885ALDH1A1 330/4885MAPT 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.