SCHEMBL3441256

SCHEMBL3441256

CC(C)n1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.71
CDK1 P06493 5/20 0.71
CCNB1 P14635 2/20 0.71
CCNE1 P24864 2/20 0.71
ADORA2A P29274 2/20 0.58
ADORA1 P30542 2/20 0.58
ADORA2B P29275 1/20 0.58
PI4KA P42356 1/20 0.58
PI4K2B Q8TCG2 1/20 0.58
PI4K2A Q9BTU6 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
CCNA2 P20248 8/20 0.53
CCNA1 P78396 8/20 0.53
CDK5 Q00535 8/20 0.53
CDK5R1 Q15078 8/20 0.53
DYRK1A Q13627 7/20 0.53
PDE8A O60658 3/20 0.51
PDE2A O00408 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL24434593 0.89 CDK1 (0.61) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL24835574 0.87 CDK1 (0.59) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL22402774 0.84 ADORA2A (0.62) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL23619350 0.84 CDK1 (0.56) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL29611365 0.83 CDK1 (1.00) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL756644 0.83 CDK1 (1.00) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL29426182 0.83 CDK2 (0.56) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL539356 0.83 CDK2 (0.56) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL26349114 0.83 CDK1 (0.58) CDK2CDK1CCNB1CCNE1ADORA2A
SCHEMBL27748107 0.82 CDK1 (0.54) CDK2CDK1CCNB1CCNE1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-11840551-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-12-12 US disclosed
US-11840551-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-12-12 US disclosed
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. 2023-11-23 US disclosed
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
US-7022710-B2 A1 adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-04-04 US disclosed
EP-1401837-B1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2005-10-19 EP disclosed
US-20050059683-A1 A1 adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-03-17 US disclosed
WO-2005009445-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-02-03 WO disclosed
US-20040209899-A1 A2B adenosine receptor antagonists PALLE VENKATA (IN) 2004-10-21 US disclosed
US-6770651-B2 THERAPY FOR ASTHMA, DIARRHEA PALLE VENKATA (US) 2004-08-03 US disclosed
EP-1401837-A1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-03-31 EP disclosed
US-20030064999-A1 A2B adenosine receptor antagonists PALLE VENKATA (US) 2003-04-03 US disclosed
WO-2003006465-A1 PARTIAL AND FULL AGONIST OF A ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-01-23 WO disclosed
WO-2003002566-A1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-01-09 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 (9 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS CDK2 4868/4885CDK1 4739/4885CCNB1 4816/4885
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 CDK2 1244/4885CDK1 428/4885CCNB1 1651/4885
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator STING1, MAVS, CGAS CDK2 4017/4885CDK1 3802/4885CCNB1 4735/4885
US-20030064999-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 CDK2 1147/4885CDK1 3001/4885CCNB1 1310/4885
US-20040209899-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 CDK2 1222/4885CDK1 2097/4885CCNB1 1058/4885
US-11840551-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA CDK2 223/4885CDK1 114/4885CCNB1 634/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS CDK2 3025/4885CDK1 2787/4885CCNB1 3587/4885
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA CDK2 223/4885CDK1 114/4885CCNB1 634/4885
US-20050059683-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 CDK2 2905/4885CDK1 1418/4885CCNB1 1414/4885

“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.