SCHEMBL454803

SCHEMBL454803

NC(=O)c1cnc2cccnn12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.48
MKNK1 Q9BUB5 1/20 0.47
HSD11B1 P28845 1/20 0.45
TGFBR2 P37173 2/20 0.41
KLK7 P49862 1/20 0.40
DYRK1A Q13627 1/20 0.40
FYN P06241 1/20 0.40
SSTR4 P31391 1/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
SARM1 Q6SZW1 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
SIRT4 Q9Y6E7 1/20 0.39

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
SCHEMBL2862103 0.84 MKNK1 (0.49) TGFBR1MKNK1HSD11B1KLK7DYRK1A
SCHEMBL29893844 0.84 MKNK1 (0.49) TGFBR1MKNK1HSD11B1KLK7DYRK1A
Hydrochloric Acid SCHEMBL30152411 0.82 MKNK1 (0.47) TGFBR1MKNK1HSD11B1KLK7DYRK1A
SCHEMBL1691581 0.82 MKNK1 (0.47) TGFBR1MKNK1HSD11B1KLK7DYRK1A
SCHEMBL30100800 0.82 MKNK1 (0.47) TGFBR1MKNK1HSD11B1KLK7DYRK1A
SCHEMBL31218862 0.81 MKNK1 (0.44) TGFBR1MKNK1HSD11B1KLK7DYRK1A
Potassium Ion SCHEMBL31218825 0.81 HSD11B1 (0.47) TGFBR1MKNK1HSD11B1KLK7DYRK1A
SCHEMBL6279707 0.80 MKNK1 (0.43) MKNK1HSD11B1KLK7DYRK1AFYN
SCHEMBL22891212 0.78 HSD11B1 (0.51) TGFBR1MKNK1HSD11B1KLK7DYRK1A
SCHEMBL4569221 0.78 MKNK1 (0.44) TGFBR1MKNK1HSD11B1KLK7DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555604-B Pharmaceutical compounds 辉瑞公司 2024-11-15 CN claimed
CN-112805062-B Imidazo [1,2-b ] pyridazines as Trk inhibitors 博善人工智能生物科技有限公司 2024-06-04 CN claimed
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 EP claimed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
CN-115297863-A Topical pharmaceutical compositions comprising imidazo [1,2-b ] pyridazine compounds 博善人工智能生物科技有限公司 2022-11-04 CN claimed
EP-4017856-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-06-29 EP claimed
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US claimed
US-12338242-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-06-24 US disclosed
US-12227507-B2 Pharmaceutical compounds PFIZER INC. (US) 2025-02-18 US disclosed
CN-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 CN disclosed
CN-114555604-B Pharmaceutical compounds 辉瑞公司 2024-11-15 CN disclosed
CN-118742552-A Five-membered and six-membered heterocyclic compounds and application thereof as protein kinase inhibitors 上海轶诺药业有限公司 2024-10-01 CN disclosed
CN-118359618-A Hydrazide substituted condensed heteroaryl compounds, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-07-19 CN disclosed
US-20160214986-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-07-28 US disclosed
EP-3010922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2016-04-27 EP disclosed
WO-2014202458-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2014-12-24 WO disclosed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 EP disclosed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
EP-2614062-A1 IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-07-17 EP disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MKNK1 2360/4885HSD11B1 1457/4885
US-12227507-B2 Pharmaceutical compounds CHRNA6, GABRA6, CHRNA7 TGFBR1 858/4885MKNK1 4661/4885HSD11B1 815/4885
US-20160214986-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS ENPP2, TPX2, PRXL2A TGFBR1 2446/4885MKNK1 4445/4885HSD11B1 3383/4885
US-12338242-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TGFBR1 1802/4885MKNK1 216/4885HSD11B1 3406/4885

“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.