Sugi Predict

Sugi Predict / Compounds / SCHEMBL3369333

SCHEMBL3369333

SCHEMBL3369333

Cc1ccccc1C=C(C#N)C#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.63
▸ ALDH1A1 P00352 7/20 0.63
▸ KDM4E B2RXH2 5/20 0.63
▸ TRPA1 O75762 1/20 0.60
▸ NPC1 O15118 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ LMNA P02545 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TNNI3 P19429 1/20 0.49
▸ TNNT2 P45379 1/20 0.49
▸ TNNC1 P63316 1/20 0.49
▸ APP P05067 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL13800974 0.82 GABRA1 (0.50) MAPTALDH1A1KDM4ETRPA1NPC1
SCHEMBL23892778 0.82 GABRA1 (0.50) MAPTALDH1A1KDM4ETRPA1NPC1
SCHEMBL15933374 0.80 ALDH1A1 (0.44) MAPTALDH1A1KDM4ETRPA1NPC1
SCHEMBL13485327 0.79 MAPT (0.51) MAPTALDH1A1KDM4ENPC1CYP1A2
SCHEMBL5555599 0.77 ALDH1A1 (0.48) MAPTALDH1A1KDM4ETRPA1NPC1
SCHEMBL5555600 0.77 ALDH1A1 (0.48) MAPTALDH1A1KDM4ETRPA1NPC1
SCHEMBL27873486 0.77 MAPT (0.42) MAPTALDH1A1KDM4ETRPA1NPC1
SCHEMBL10144181 0.77 MAPT (0.49) MAPTALDH1A1KDM4ETRPA1NPC1
SCHEMBL8458208 0.77 TRPA1 (0.62) MAPTALDH1A1KDM4ETRPA1NPC1
SCHEMBL1927493 0.76 KMT2A (0.58) MAPTALDH1A1KDM4ETRPA1NPC1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116135912-A Porous zinc-based metal organic coordination compound, preparation method and application thereof 嘉兴学院 2023-05-19 — — CN 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-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 — — CN disclosed
EP-3409671-B1 ISOTHIAZOLE DERIVATIVES AS GPR120 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2021-07-21 — — EP disclosed
US-10618893-B2 GPR120 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICALS NV (BE) 2020-04-14 — — US 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-20190071435-A1 GPR120 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2019-03-07 — — 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-20040087583-A1 Amino-thio-acrylonitriles as MEK inhibitors HOBBS FRANK WORDEN (US) 2004-05-06 — — US disclosed
US-6703420-B1 MITOGEN ACTIVATED PROTEIN KINASE (MAPK) INHIBITORS; ANTIINFLAMMATORY, ANTICARCINOGENIC, OR ANTIPROLIFERATIVE AGENTS; RADIOSENSITIZERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-09 — — US 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
EP-1163215-A1 AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-12-19 — — EP disclosed
WO-2000056706-A1 AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-09-28 — — 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 (5 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 MAPT 4559/4885ALDH1A1 152/4885KDM4E 1329/4885
US-20190071435-A1 GPR120 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GLP1R, GCGR MAPT 4611/4885ALDH1A1 1789/4885KDM4E 3412/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK MAPT 4458/4885ALDH1A1 330/4885KDM4E 916/4885
US-20040087583-A1 Amino-thio-acrylonitriles as MEK inhibitors MAPK1, MAP3K1, CDKN1A MAPT 3878/4885ALDH1A1 198/4885KDM4E 3000/4885
US-10618893-B2 GPR120 agonists for the treatment of type II diabetes GPR119, GLP1R, GCGR MAPT 4611/4885ALDH1A1 1789/4885KDM4E 3412/4885

“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.