SCHEMBL4096261

SCHEMBL4096261

C1=Nc2ncccc2CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
GRIN2D O15399 2/20 0.30
GRIN3B O60391 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
GRIN2B Q13224 2/20 0.30
GRIN2C Q14957 2/20 0.30
GRIN3A Q8TCU5 2/20 0.30

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
SCHEMBL30625726 1.00 TSHR (0.32) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL255497 0.78
SCHEMBL331738 0.70
SCHEMBL21365381 0.69 MIF (0.36)
Quinoline SCHEMBL28250544 0.69 ALDH1A1 (0.53) TSHR
SCHEMBL9249744 0.68 MAPT (0.50) TSHR
SCHEMBL4769982 0.68 CYP19A1 (0.33) TSHR
SCHEMBL24047773 0.67 CHRM2 (0.33)
SCHEMBL4759488 0.67 LMNA (0.48) TSHR
SCHEMBL497374 0.67 NOS3 (0.43) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602823-A As deubiquitinating enzymes(DUB)The spiral shell of inhibitor-condensation pyrrolidin derivatives 特殊治疗有限公司 2018-09-28 CN claimed
CN-108456214-A The quinazoline compounds and its application of Han oxazoles or glyoxaline structure 江西科技师范大学 2018-08-28 CN claimed
CN-107787226-A Drug regimen 诺华股份有限公司 2018-03-09 CN claimed
CN-105683188-B The ring pyridinyl derivatives of condensed ring two as FGFR4 inhibitor 诺华股份有限公司 2018-02-09 CN claimed
CN-107406448-A ((base of 4 methyl, the 2 oxypiperazin 1) methyl) 3 of N (base of 5 cyano group 4 ((2 methoxyethyl) amino) pyridine 2) 7 formoxyl 6; the particle of 4 dihydro 1,8 naphthyridines 1 (2H) formamide 诺华股份有限公司 2017-11-28 CN claimed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 CN claimed
EP-0410762-A1 Naphthyridine derivatives DowElanco (US) 1991-01-30 EP claimed
WO-2023250157-A9 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2024-01-25 WO disclosed
US-20220119386-A1 FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR JACOBIO PHARMACEUTICALS CO LTD (CN) 2022-04-21 US disclosed
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
EP-0391185-B1 Substituted 1,8-naphthyridines BAYER AG (DE) 1993-12-29 EP disclosed
US-5240916-A Fungicides DOWELANCO (US) 1993-08-31 US disclosed
US-5034399-A Enzyme inhibitors, anticholesterol agents or antilipemic agents BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
EP-0410762-A1 Naphthyridine derivatives DowElanco (US) 1991-01-30 EP disclosed
EP-0391185-A1 Substituted 1,8-naphthyridines BAYER AG (DE) 1990-10-10 EP 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 TSHR 1697/4885GRIN2D 2521/4885GRIN3B 1356/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV TSHR 1619/4885GRIN2D 2123/4885GRIN3B 938/4885
US-20220119386-A1 FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR FGFR4, FGFR1, FGFR3 TSHR 2271/4885GRIN2D 1542/4885GRIN3B 1598/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 TSHR 1697/4885GRIN2D 2521/4885GRIN3B 1356/4885

“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.