SCHEMBL3304072

SCHEMBL3304072

CCc1nnc(C(C)C)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2A P29274 2/20 0.38

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
SCHEMBL11337622 0.81 ADORA3 (0.31) ADORA3ADORA1ADORA2A
SCHEMBL20464457 0.81 MEN1 (0.33) ADORA3ADORA1ADORA2A
SCHEMBL2756565 0.74
SCHEMBL18930207 0.73
SCHEMBL19622438 0.72 ADORA3 (0.36) ADORA3ADORA1ADORA2A
SCHEMBL890172 0.69
SCHEMBL20464463 0.68 TSHR (0.35) ADORA3ADORA1ADORA2A
SCHEMBL17321274 0.67 AAK1 (0.34) ADORA3ADORA1ADORA2A
SCHEMBL21375442 0.67 KDM4E (0.31)
SCHEMBL19228479 0.63 L3MBTL1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
WO-2023212240-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
US-20230233700-A1 METHODS FOR PREPARING ANTIBODY DRUG CONJUGATES GENENTECH, INC. (US) 2023-07-27 US disclosed
US-11692043-B2 Peptidomimetic compounds and antibody-drug conjugates thereof MEDIMMUNE LIMITED (GB) 2023-07-04 US disclosed
US-20230126271-A1 DEGRADER-ANTIBODY CONJUGATES AND METHODS OF USING SAME ANGIEX, INC. 2023-04-27 US disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20230058677-A1 POLYCYCLIC PYRIDOPYRAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2023-02-23 US disclosed
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 US disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 US disclosed
WO-2015125785-A1 PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS 第一三共株式会社 2015-08-27 WO disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20100093795-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20080139613-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ADORA3 962/4885ADORA1 1459/4885ADORA2A 1879/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 ADORA3 2270/4885ADORA1 1414/4885ADORA2A 1741/4885
US-20100093795-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases CCR5, CCL5, CXCR5 ADORA3 304/4885ADORA1 271/4885ADORA2A 317/4885
US-20230233700-A1 METHODS FOR PREPARING ANTIBODY DRUG CONJUGATES FCGRT, MSN, FCGR3B ADORA3 2077/4885ADORA1 2860/4885ADORA2A 1563/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ADORA3 489/4885ADORA1 516/4885ADORA2A 224/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 ADORA3 1843/4885ADORA1 874/4885ADORA2A 789/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADORA3 4065/4885ADORA1 4344/4885ADORA2A 4182/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ADORA3 3491/4885ADORA1 3547/4885ADORA2A 2723/4885
US-20230126271-A1 DEGRADER-ANTIBODY CONJUGATES AND METHODS OF USING SAME PSMA4, PSMB4, PSMB1 ADORA3 4522/4885ADORA1 4564/4885ADORA2A 4520/4885
US-20080139613-A1 Chemical Compound CCR5, CCR2, CCR1 ADORA3 397/4885ADORA1 329/4885ADORA2A 978/4885
US-20230058677-A1 POLYCYCLIC PYRIDOPYRAZINE DERIVATIVE C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ADORA3 975/4885ADORA1 1422/4885ADORA2A 1623/4885
US-11692043-B2 Peptidomimetic compounds and antibody-drug conjugates thereof DNPEP, LNPEP, VIP ADORA3 2937/4885ADORA1 3808/4885ADORA2A 3735/4885
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS NR4A3, NR4A1, NR3C1 ADORA3 1602/4885ADORA1 3119/4885ADORA2A 2792/4885

“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.