SCHEMBL2997392

SCHEMBL2997392

Clc1nc(Br)nc2nc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
XDH P47989 1/20 0.43
PDPK1 O15530 1/20 0.41
GDA Q9Y2T3 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
POLA1 P09884 1/20 0.40
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PNP P00491 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.36
CSNK2A2 P19784 1/20 0.36
RAB9A P51151 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36

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
SCHEMBL37384 0.79 DPP4 (0.66) DPP4XDHPDPK1GDAADORA3
SCHEMBL533603 0.79 PDPK1 (0.44) DPP4XDHPDPK1GDAADORA3
SCHEMBL8719273 0.78 DPP4 (0.63) DPP4XDHPDPK1GDAADORA3
Hydrochloric Acid SCHEMBL4763244 0.78 DPP4 (0.63) DPP4XDHPDPK1GDAADORA3
SCHEMBL11456967 0.78 DPP4 (0.63) DPP4XDHPDPK1GDAADORA3
SCHEMBL612211 0.76 GDA (0.41) DPP4XDHPDPK1GDAADORA3
SCHEMBL497199 0.76 PDPK1 (0.66) DPP4XDHPDPK1GDAPOLA1
SCHEMBL16146853 0.76 PDPK1 (0.41) DPP4XDHPDPK1GDAADORA3
SCHEMBL5145886 0.76 CDK2 (0.61) DPP4XDHPDPK1GDAADORA3
SCHEMBL29873925 0.76 PDPK1 (0.66) DPP4XDHPDPK1GDAPOLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
WO-2023063168-A1 PEST CONTROLLING COMPOSITION ダイキン工業株式会社 2023-04-20 WO disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
CN-1314685-C Process for preparing 2, 6-dihalogenopurine SUMITOMO CHEMICAL CO (JP) 2007-05-09 CN disclosed
US-20070032645-A1 Method for the preparation of 2-halo-2'-deoxyadenosine compounds for 2'-deoxyguanosine BRIGHAM YOUNG UNIVERSITY (US) 2007-02-08 US disclosed
EP-1556400-A2 METHOD FOR THE PREPARATION OF 2-HALO-2 -DEOXYADENOSINE COMPOUNDS FROM 2 -DEOXYGUANOSINE Brigham Young University (US) 2005-07-27 EP disclosed
CN-1646532-A Process for preparing 2, 6-dihalogenopurine SUMITOMO CHEMICAL CO (JP) 2005-07-27 CN disclosed
US-20050131229-A1 Production method of 2,6-dihalopurine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-16 US disclosed
EP-1490369-A1 PRODUCTION METHOD OF 2,6-DIHALOPURINE Sumitomo Chemical Company, Limited (JP) 2004-12-29 EP disclosed
WO-2004028462-A2 METHOD FOR THE PREPARATION OF 2-HALO-2'-DEOXYADENOSINE COMPOUNDS FROM 2'-DEOXYGUANOSINE BRIGHAM YOUNG UNIVERSITY, TECHNOLOGY TRANSFER OFFICE (US) 2004-04-08 WO disclosed
WO-2003084958-A1 PRODUCTION METHOD OF 2,6-DIHALOPURINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-16 WO disclosed
US-4617189-A Use of selenium-containing compounds for negating the toxic effects of platinum compounds used in chemotherapy, and a novel selenium-containing platinum compound and use thereof as an anti-cancer medicine STOCKEL RICHARD F (US) 1986-10-14 US disclosed
US-4536571-A SEFL-DETOXIFYING ANTICARCINOGENIC AGENT STOCKEL RICHARD F (US) 1985-08-20 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 (3 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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH DPP4 2552/4885XDH 910/4885PDPK1 1063/4885
US-20070032645-A1 Method for the preparation of 2-halo-2'-deoxyadenosine compounds for 2'-deoxyguanosine DCTD, CDA, UNG DPP4 3564/4885XDH 810/4885PDPK1 4526/4885
US-20050131229-A1 Production method of 2,6-dihalopurine TPMT, DHPS, DUS2 DPP4 1057/4885XDH 409/4885PDPK1 1702/4885

“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.