SCHEMBL3368837

SCHEMBL3368837

N#CC(C#N)=Cc1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.77
▸ KMT2A Q03164 8/20 0.77
▸ MAPT P10636 8/20 0.77
▸ MEN1 O00255 7/20 0.77
▸ KDM4E B2RXH2 4/20 0.77
▸ NPSR1 Q6W5P4 3/20 0.77
▸ LMNA P02545 3/20 0.77
▸ POLB P06746 1/20 0.77
▸ THRB P10828 1/20 0.65
▸ CISD1 Q9NZ45 1/20 0.65
▸ EGFR P00533 5/20 0.63
▸ CYP3A4 P08684 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ NFKB1 P19838 3/20 0.57
▸ BLM P54132 3/20 0.57
▸ PMP22 Q01453 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ GAA P10253 1/20 0.56

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
SCHEMBL17466932 0.88 MAPT (1.00) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL17466936 0.81 MAPT (0.85) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL1238796 0.79 MEN1 (1.00) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11350306 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL26552234 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL20824922 0.78 KMT2A (0.80) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3369467 0.77 KMT2A (0.77) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL987696 0.77 MAPT (0.77) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL21887201 0.77 MAPT (0.77) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6824611 0.77 KMT2A (0.77) ALDH1A1KMT2AMAPTMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717076-B Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2022-08-02 — — CN claimed
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-116239573-B Preparation method and application of metal organic quaternary cyclic compound 大连理工大学 2024-03-26 — — CN disclosed
CN-117683009-A Polysubstituted 4H-pyran derivative and preparation method thereof 郑州铁路职业技术学院 2024-03-12 — — CN disclosed
CN-117623983-A Method for constructing cyclopentene skeleton by directly cyclizing allyl alcohol 南京工业大学 2024-03-01 — — CN disclosed
CN-117551025-A Preparation method of 4, 4-dicyano-2-alkyl-pyrrolidine-2-carboxylic ester derivative 华北水利水电大学 2024-02-13 — — CN disclosed
CN-116535368-A Dicyanomethane compound and synthesis method and application thereof 浙江理工大学嵊州创新研究院有限公司 2023-08-04 — — CN disclosed
CN-116239573-A Preparation method and application of metal organic quaternary cyclic compound 大连理工大学 2023-06-09 — — CN disclosed
CN-113135856-B 3-trifluoromethyl-5-cyanopyrazole compounds and preparation method thereof 天津大学 2022-10-11 — — CN disclosed
CN-113717076-B Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2022-08-02 — — CN disclosed
US-9410035-B2 Modified heterophasic polyolefin composition MILLIKEN & COMPANY (US) 2016-08-09 — — US disclosed
US-20160024289-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY 2016-01-28 — — US 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

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 ALDH1A1 152/4885KMT2A 3893/4885MAPT 4559/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK ALDH1A1 330/4885KMT2A 3650/4885MAPT 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.

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