SCHEMBL5197101

SCHEMBL5197101

CC(=O)Nc1nc(Cl)c2[nH]cnc2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.54
DPP4 P27487 1/20 0.53
POLA1 P09884 1/20 0.47
NEK2 P51955 1/20 0.46
BRAF P15056 1/20 0.43
XDH P47989 1/20 0.42
STAT3 P40763 4/20 0.41
SRC P12931 2/20 0.40
PIK3CA P42336 2/20 0.39
MTOR P42345 1/20 0.39
MGMT P16455 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL4307867 0.84 DPP4 (0.49) GDADPP4POLA1NEK2XDH
SCHEMBL887125 0.83 GDA (0.55) GDANEK2BRAFSTAT3SRC
SCHEMBL31506448 0.83 GDA (0.55) GDANEK2BRAFXDHSTAT3
SCHEMBL750335 0.83 GDA (0.55) GDANEK2BRAFXDHSTAT3
SCHEMBL9412610 0.82 DPP4 (0.50) GDADPP4POLA1NEK2XDH
SCHEMBL9412467 0.82 DPP4 (0.50) GDADPP4POLA1NEK2XDH
SCHEMBL14938904 0.82 GDA (0.54) GDADPP4POLA1NEK2BRAF
SCHEMBL15063958 0.81 SYK (0.52) GDADPP4POLA1XDHSTAT3
Acetic Acid SCHEMBL7594624 0.80 DPP4 (0.48) GDADPP4POLA1NEK2XDH
SCHEMBL5197095 0.77 CYP1A2 (0.39) GDABRAFCYP1A2

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
EP-0644193-B1 Process for preparing 2-acetylamino-6-chloropurine JUZEN CHEMICAL CO LTD (JP) 2000-04-26 EP claimed
US-5688778-A VIRICIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-11-18 US claimed
EP-0684243-A1 Process for preparing 2-amino-6-chloropurine and 2-acylamino-6-chloropurine BOEHRINGER INGELHEIM KG (DE) 1995-11-29 EP claimed
EP-0644193-A2 Process for preparing 2-acetylamino-6-chloropurine JUZEN CHEMICAL CO.LTD. (JP) 1995-03-22 EP claimed
JP-7133276-A None JP disclosed
CN-113234077-B Synthesis method of 2-amino-6-chloropurine 上海凌凯医药科技有限公司 2022-03-08 CN disclosed
CN-113234077-A Synthesis method of 2-amino-6-chloroguanine 上海凌凯医药科技有限公司 2021-08-10 CN disclosed
WO-2012115578-A1 SYNTHESIS OF FLG MEDIVIR AB (SE) 2012-08-30 WO disclosed
EP-1816135-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof Ajinomoto Co., Inc. (JP) 2007-08-08 EP disclosed
US-20050171126-A1 Process for the production of purine nucleoside compounds AJINOMOTO CO., INC. (JP) 2005-08-04 US disclosed
EP-1550665-A1 A process for the production of purine nucleoside compounds Ajinomoto Co., Inc. (JP) 2005-07-06 EP disclosed
CN-1206226-C Method for preparing effective anti-virus cyclopropane derivative and intermediate used thereof AJINOMOTO KK (JP) 2005-06-15 CN disclosed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed
CN-1057652-A A kind of acyclic nucleotide of replacement and method of related intermediates thereof of preparing HOECHST AG (DE) 1992-01-08 CN disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
EP-0433846-A1 Process for the preparation of 2-acylamino-6-halogeno-purine from 2,9-diacylguanine HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-26 EP disclosed
EP-0433845-A1 Process for the preparation of 2-acylamino-9-acyl-6-halogeno-purines HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-26 EP disclosed
EP-0302644-A2 Purine compounds and their preparation BEECHAM GROUP PLC (GB) 1989-02-08 EP disclosed
US-4801710-A Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO., INC. (US) 1989-01-31 US disclosed
EP-0184473-A1 Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO. INC. (US) 1986-06-11 EP 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 (1 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-20050171126-A1 Process for the production of purine nucleoside compounds PNP, NUDT1, UMPS GDA 66/4885DPP4 314/4885POLA1 576/4885

“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.