SCHEMBL12026537

SCHEMBL12026537

CC(C)N1CCCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CTSK P43235 2/20 0.53
BTK Q06187 2/20 0.50
HSD11B1 P28845 2/20 0.45
CYP2C9 P11712 1/20 0.45
JAK3 P52333 1/20 0.44
MAP4K4 O95819 2/20 0.43
KDM4D Q6B0I6 6/20 0.43
GAA P10253 1/20 0.43
EPHX1 P07099 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL10017895 1.00 CA1 (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL13199876 1.00 CA1 (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL14024975 0.91 CTSK (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL21779949 0.91 CTSK (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL12026411 0.91 CTSK (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL26109825 0.91 CA1 (0.55) CA1CA2CTSKBTKHSD11B1
SCHEMBL17789650 0.89 CA1 (0.52) CA1CA2CTSKBTKHSD11B1
SCHEMBL26093192 0.87 CA1 (0.57) CA1CA2CTSKBTKHSD11B1
SCHEMBL19019381 0.85 CTSK (0.57) CA1CA2CTSKBTKHSD11B1
SCHEMBL27426504 0.85 HRH3 (0.43) CA1CA2CTSKHSD11B1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
WO-2023130054-A2 HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2023-07-06 WO disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 US disclosed
EP-3452465-B1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2020-11-04 EP disclosed
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-9676783-B2 Method of treatment using substituted pyrazolo[1,5-A] pyrimidine compounds ARRAY BIOPHARMA, INC. (US) 2017-06-13 US disclosed
US-20170112849-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds ARRAY BIOPHARMA, INC. 2017-04-27 US disclosed
US-20170114068-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds ARRAY BIOPHARMA, INC. 2017-04-27 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 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 (13 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CA1 3139/4885CA2 4405/4885CTSK 4340/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CA1 3306/4885CA2 2484/4885CTSK 3558/4885
US-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CA1 2831/4885CA2 2245/4885CTSK 3569/4885
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 CA1 371/4885CA2 827/4885CTSK 1630/4885
US-20170114068-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds COL2A1, COL1A1, IFNAR1 CA1 2065/4885CA2 760/4885CTSK 619/4885
US-20170112849-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds COL2A1, COL1A1, IFNAR1 CA1 2065/4885CA2 760/4885CTSK 619/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CA1 2831/4885CA2 2245/4885CTSK 3569/4885
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CA1 2831/4885CA2 2245/4885CTSK 3569/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 CA1 2732/4885CA2 2489/4885CTSK 406/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 CA1 70/4885CA2 76/4885CTSK 1406/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE CA1 908/4885CA2 1714/4885CTSK 371/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CA1 3139/4885CA2 4405/4885CTSK 4340/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CA1 3139/4885CA2 4405/4885CTSK 4340/4885

“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.