SCHEMBL2982328

SCHEMBL2982328

CN(C)/C=C/c1ccncc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SLC22A12 Q96S37 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CDC42BPA Q5VT25 1/20 0.32
▸ CDC42BPB Q9Y5S2 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31

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
SCHEMBL3828343 1.00 HTT (0.40) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL13773302 1.00 HTT (0.40) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL30481365 0.87 HTT (0.40) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1550435 0.87 HTT (0.40) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1550437 0.87 HTT (0.40) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL13415701 0.84 HTT (0.36) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL13694776 0.77 HTT (0.43) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6478807 0.75 TSHR (0.42) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6478809 0.75 TSHR (0.42) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL13449405 0.74 SLC22A12 (0.36) HTTALDH1A1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-18 — — US disclosed
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-01-21 — — US disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 — — WO disclosed
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 — — US disclosed
US-20220017534-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNITED STATES GOVERNMENT 2022-01-20 — — US disclosed
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNITED STATES GOVERNMENT 2021-12-23 — — US disclosed
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors NUVATION BIO INC. (US) 2021-12-07 — — US disclosed
EP-3880684-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS University of Virginia Patent Foundation (US) 2021-09-22 — — EP disclosed
EP-3880200-A2 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS University of Virginia Patent Foundation (US) 2021-09-22 — — EP disclosed
EP-3873474-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS Nuvation Bio Inc. (US) 2021-09-08 — — EP disclosed
US-6835738-B1 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2004-12-28 — — US disclosed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 — — US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 — — US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 — — US disclosed
US-6545013-B2 Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. CELLTECH R&D LIMITED (GB) 2003-04-08 — — US disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 — — US disclosed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 — — US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 — — US disclosed
US-4859671-A ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-08-22 — — US disclosed
US-4176183-A Novel naphthyridines MERCK & CO., INC. (US) 1979-11-27 — — US 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 (11 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 HTT 3826/4885ALDH1A1 1142/4885KMT2A 3381/4885
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 HTT 723/4885ALDH1A1 4021/4885KMT2A 329/4885
US-20220017534-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRC, PTPRF HTT 3857/4885ALDH1A1 1620/4885KMT2A 1186/4885
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors PTP4A3, PTPRO, PTPRC HTT 3565/4885ALDH1A1 1667/4885KMT2A 1072/4885
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRO, PTPRC HTT 4032/4885ALDH1A1 1488/4885KMT2A 1128/4885
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 HTT 2720/4885ALDH1A1 1396/4885KMT2A 1241/4885
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors BET1, BRD4, PHKB HTT 753/4885ALDH1A1 3941/4885KMT2A 370/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 HTT 3805/4885ALDH1A1 1216/4885KMT2A 3342/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH HTT 3609/4885ALDH1A1 1631/4885KMT2A 1917/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL HTT 4059/4885ALDH1A1 378/4885KMT2A 4557/4885
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors PTP4A3, PTPRC, PTPRF HTT 3857/4885ALDH1A1 1620/4885KMT2A 1186/4885

“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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