Sugi Predict

Sugi Predict / Compounds / SCHEMBL3369090

SCHEMBL3369090

SCHEMBL3369090

N#CC(C#N)=Cc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.48
▸ APP P05067 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SNCA P37840 1/20 0.42

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
SCHEMBL26552230 0.80 TRPA1 (0.46) TRPA1ALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL10923755 0.80 MAPT (0.41) TRPA1ALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL10925523 0.80 MAPT (0.41) TRPA1ALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL10923477 0.80 MAPT (0.41) TRPA1ALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL14176101 0.77 NFE2L2 (0.42) TRPA1ALDH1A1MEN1KMT2AHTT
SCHEMBL8458208 0.77 TRPA1 (0.62) TRPA1ALDH1A1MEN1KMT2AHTT
SCHEMBL3368344 0.76 LMNA (0.48) TRPA1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1711226 0.76 KDM4E (0.60) ALDH1A1KMT2AKDM4ELMNACYP1A2
SCHEMBL1711227 0.76 KDM4E (0.60) ALDH1A1KMT2AKDM4ELMNACYP1A2
SCHEMBL2029718 0.76 KDM4E (0.60) ALDH1A1KMT2AKDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118287150-A Method for efficiently catalyzing Knoevenagel condensation reaction by porphyrin and quaternary ammonium salt synergistic catalytic system 沈阳药科大学 2024-07-05 — — CN disclosed
CN-112899318-B (E) Green preparation method of (E) -alpha-cyano-beta-aryl acrylamide compound 沈阳药科大学 2022-10-11 — — 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
CN-112899318-A (E) Green preparation method of (E) -alpha-cyano-beta-aryl acrylamide compound 沈阳药科大学 2021-06-04 — — 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
EP-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 — — EP 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-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 — — US disclosed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 — — WO disclosed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 — — WO disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 — — 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

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

For each of this compound's patents that has machine-readable text (4 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-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 TRPA1 2186/4885ALDH1A1 4315/4885MEN1 2597/4885
US-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 TRPA1 3965/4885ALDH1A1 152/4885MEN1 3734/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 TRPA1 4434/4885ALDH1A1 3796/4885MEN1 3282/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK TRPA1 3259/4885ALDH1A1 330/4885MEN1 3821/4885

“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.