SCHEMBL4451632

SCHEMBL4451632

Cc1nc(Cl)nc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
PDPK1 O15530 2/20 0.34
KDM4E B2RXH2 1/20 0.33
CSNK2A1 P68400 1/20 0.33
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
PARP1 P09874 3/20 0.30
YTHDC1 Q96MU7 1/20 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
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 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
Ammonia Solution, Strong SCHEMBL16871771 0.82 PDPK1 (0.35) XDHPDPK1KDM4EPARP1
Hydrochloric Acid SCHEMBL28476807 0.80 PDPK1 (0.34) PDPK1PARP1
SCHEMBL7019371 0.79 PDPK1 (0.36) PDPK1KDM4ECSNK2A1PARP1DYRK1A
SCHEMBL29354230 0.79 XDH (0.38) XDHKDM4ECSNK2A1PARP1AURKA
SCHEMBL37383 0.79 XDH (0.38) XDHKDM4ECSNK2A1PARP1AURKA
Hydrochloric Acid SCHEMBL4763242 0.78 XDH (0.37) XDHKDM4ECSNK2A1PARP1AURKA
SCHEMBL11456966 0.78 XDH (0.37) XDHKDM4ECSNK2A1PARP1AURKA
SCHEMBL130696 0.77 XDH (0.57) XDHYTHDC1
SCHEMBL16147017 0.76 XDH (0.36) XDHKDM4ECSNK2A1PARP1AURKA
SCHEMBL5935894 0.76 CSNK2A1 (0.41) XDHKDM4ECSNK2A1PARP1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
WO-2021016263-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-01-28 WO disclosed
WO-2020186220-A1 COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2020-09-17 WO disclosed
WO-2020186220-A1 COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2020-09-17 WO disclosed
WO-2017123766-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF DISEASE SPEROVIE BIOSCIENCES, INC. (US) 2017-07-20 WO disclosed
WO-2017120508-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2017-07-13 WO disclosed
EP-3150609-A1 PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES Intellikine, LLC (US) 2017-04-05 EP disclosed
US-8648188-B2 Preparation of 2-chloro-9-(2′-deoxy-2′-fluoro-β-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN, LTD. (TW) 2014-02-11 US disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 WO disclosed
US-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN LTD. 2012-01-12 US disclosed
US-20100298319-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES S*BIO PTE LTD. (SG) 2010-11-25 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
EP-1844063-A4 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2009-06-17 EP disclosed
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2008-04-17 US disclosed
US-20080070860-A1 Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside UTI LIMITED PARTNERSHIP (CA) 2008-03-20 US disclosed
EP-1844063-A1 PURINE NUCLEOSIDE ANALOGS Uti Limited Partnership (CA) 2007-10-17 EP disclosed
WO-2006081665-A1 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2006-08-10 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 (7 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 XDH 1784/4885PDPK1 3587/4885KDM4E 2008/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB XDH 1361/4885PDPK1 14/4885KDM4E 4349/4885
US-20080070860-A1 Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside PNP, MTAP, TYMP XDH 238/4885PDPK1 610/4885KDM4E 3300/4885
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD XDH 1177/4885PDPK1 9/4885KDM4E 1603/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP XDH 214/4885PDPK1 87/4885KDM4E 1381/4885
US-20100298319-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES TYMP, PIK3CA, PNP XDH 423/4885PDPK1 18/4885KDM4E 2717/4885
US-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine HPRT1, TYMP, MTAP XDH 295/4885PDPK1 4317/4885KDM4E 983/4885

“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.