SCHEMBL2545907

SCHEMBL2545907

C#Cc1ccc(N(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADK P55263 4/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
FGFR4 P22455 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
KCNH2 Q12809 2/20 0.37
APP P05067 2/20 0.37
GRM5 P41594 2/20 0.36
NCF1 P14598 1/20 0.35
KDM1A O60341 1/20 0.35
MAP3K11 Q16584 1/20 0.34
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL165008 0.79 ALDH1A1 (0.46) ADKJAK2JAK3PIK3CAMTOR
SCHEMBL4374387 0.78 FGFR4 (0.43) JAK2JAK3FGFR4GRM5
SCHEMBL17038158 0.76 ALDH1A1 (0.44) ADKPIK3CAMTORKCNH2APP
SCHEMBL17038157 0.72 ADK (0.42) ADKPIK3CAMTORKCNH2APP
SCHEMBL15950272 0.71 GABRG2 (0.41) JAK2JAK3FGFR4GRM5
SCHEMBL503236 0.71
SCHEMBL15378607 0.71 FGFR4 (0.36) JAK2JAK3FGFR4GRM5
SCHEMBL15491230 0.71 HDAC8 (0.33) MTORGRM5HDAC8
SCHEMBL27733 0.70 HDAC8 (0.40) GRM5HDAC8
SCHEMBL30626044 0.70 HDAC8 (0.40) GRM5HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP disclosed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
CN-118894816-A 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-11-05 CN disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN disclosed
CN-111886233-B Triazolone derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-01-02 CN disclosed
US-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-11-21 US disclosed
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-10-10 US disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 US disclosed
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2022-11-08 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
CN-1930144-A 3-'4-heterocyclyl -1,2,3,-triazol-1-yl!-n-aryl-benzamides as inhibitors of the cytokines production for the treatment of chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMA (US) 2007-03-14 CN disclosed
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 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 (7 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-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same VAPB, HDLBP, VAPA ADK 3036/4885JAK2 2496/4885JAK3 805/4885
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 ADK 2124/4885JAK2 1053/4885JAK3 781/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 ADK 3820/4885JAK2 2667/4885JAK3 1032/4885
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, LIPC ADK 2233/4885JAK2 1899/4885JAK3 1165/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 ADK 3820/4885JAK2 2667/4885JAK3 1032/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 ADK 3820/4885JAK2 2667/4885JAK3 1032/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A ADK 2996/4885JAK2 97/4885JAK3 583/4885

“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.