SCHEMBL753115

SCHEMBL753115

Cc1nc(Cl)c2nc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
PDK4 Q16654 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CSNK2A1 P68400 1/20 0.33
XDH P47989 1/20 0.33
DPP4 P27487 1/20 0.32
PDPK1 O15530 2/20 0.31
PARP1 P09874 3/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 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
Hydrochloric Acid SCHEMBL6657448 0.98 PDK2 (0.37) PDK2PDK4KDM4EALDH1A1GLA
SCHEMBL29354230 0.79 XDH (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL37383 0.79 XDH (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7019371 0.79 PDPK1 (0.36) KDM4EALDH1A1GLAGAAHPGD
Ammonia Solution, Strong SCHEMBL16871771 0.78 PDPK1 (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL11456966 0.78 XDH (0.37) KDM4EALDH1A1GLAGAAHPGD
Hydrochloric Acid SCHEMBL4763242 0.78 XDH (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14110227 0.77 XDH (0.38) CSNK2A1XDHPDPK1
SCHEMBL11878660 0.77 CSNK2A1 (0.32) CSNK2A1XDHDPP4DYRK1A
SCHEMBL2997391 0.76 CSNK2A1 (0.36) KDM4EALDH1A1HPGDCSNK2A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260146059-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2026-05-28 US disclosed
US-12459967-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2025-11-04 US disclosed
CN-119912510-A Modulators of extracellular 5' -nucleotidases and uses thereof 艾库斯生物科学有限公司 2025-05-02 CN disclosed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
CN-114395005-B Modulators of extracellular 5' -nucleotidases and uses thereof 艾库斯生物科学有限公司 2024-12-31 CN disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
US-20240352057-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2024-10-24 US disclosed
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 US disclosed
CN-108697719-B Modulators of extracellular 5' -nucleotidases and uses thereof 艾库斯生物科学有限公司 2024-03-19 CN disclosed
WO-2009003428-A2 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2009-01-08 WO disclosed
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
US-6096724-A O(6)-ALKYLGUANINE-DNA ALKYLTRANSFERASE (ATASE) ENZYME INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-08-01 US disclosed
US-5929046-A Pyrimidine and purine derivatives and their use in treating tumour cells CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-07-27 US disclosed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed
EP-0874848-A1 PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-11-04 EP disclosed
WO-1997020843-A1 PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-06-12 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 (6 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-20240352057-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E PDK2 2738/4885PDK4 3634/4885KDM4E 2414/4885
US-12459967-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E PDK2 2654/4885PDK4 3547/4885KDM4E 2438/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 PDK2 1236/4885PDK4 2530/4885KDM4E 2034/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 PDK2 1236/4885PDK4 2530/4885KDM4E 2034/4885
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP PDK2 499/4885PDK4 1553/4885KDM4E 3183/4885
US-20260146059-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF NTPCR, NT5C2, NT5E PDK2 4320/4885PDK4 4741/4885KDM4E 3616/4885

“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.