SCHEMBL4830696

SCHEMBL4830696

Nc1nc(Cl)nc2cn[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ PTK2 Q05397 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ RET P07949 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ XDH P47989 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ CDK1 P06493 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
SCHEMBL361678 0.79 PDPK1 (0.39) HTTPTK2MAPTCHEK1RET
SCHEMBL29684443 0.79 NOS1 (0.39) NOS1HTTPTK2
SCHEMBL29863669 0.76 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL4838398 0.76 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL4106173 0.72 DPP4 (0.43) NOS1HTTPTK2MAPTCSNK1A1
SCHEMBL30774307 0.72 HTT (0.36) NOS1HTTPTK2CHEK1
SCHEMBL22119097 0.72 HTT (0.36) NOS1HTTPTK2
SCHEMBL29864632 0.72 NOS1 (0.34) NOS1HTTPTK2
SCHEMBL15650689 0.69 ADORA2A (0.44) HTT
SCHEMBL560806 0.68 RET (0.52) NOS1HTTMAPTCHEK1RET

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390890-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-06-24 — — US disclosed
US-20070197561-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-08-23 — — US disclosed
WO-2007069924-A1 DEAZAPURINE ANALOGS OF 4'-AZA-L-NUCLEOSIDES INDUSTRIAL RESEARCH LIMITED (NZ) 2007-06-21 — — WO disclosed
US-7211653-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-05-01 — — US disclosed
EP-1023308-B1 INHIBITORS OF NUCLEOSIDE METABOLISM EINSTEIN COLL MED (US) 2005-09-07 — — EP disclosed
US-20050026936-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2005-02-03 — — US disclosed
US-6803455-B2 PYRROLO(3,2-D)PYRIMIDIN-7-YL)-1,4-IMINO-D-RIBITOL DERIVATIVES; FOR SUPPRESSION OF T-CELL FUNCTION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2004-10-12 — — US disclosed
US-20030096830-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2003-05-22 — — US disclosed
US-6492347-B2 TREATMENT AND/OR PROPHYLAXIS OF INFECTION CAUSED BY PROTOZOAN PARASITE BY ADMINISTERING COMPOUND TO INHIBIT PURINE NUCLEOSIDE HYDROLASE, PURINE NUCLEOSIDE PHOSPHORYLASE, AND/OR PURINE PHOSPHORIBOSYL TRANSFERASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2002-12-10 — — US disclosed
US-20020061898-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2002-05-23 — — US disclosed
US-6228847-B1 ADMINISTERING PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES AS PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITOR ALBERT EINSTEIN COLLEGE OF MEDICINE 2001-05-08 — — US disclosed
US-6066722-A Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2000-05-23 — — US disclosed
US-5985848-A EFFECTIVE INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE AND/OR NUCLEOSIDE HYDROLASES; TREATMENT AND/OR PROPHYLAXIS OF A PROTOZOAN INFECTION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-11-16 — — 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 (4 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-20050026936-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 NOS1 4035/4885HTT 1391/4885PTK2 3836/4885
US-20020061898-A1 Inhibitors of nucleoside metabolism PNP, APRT, NUDT14 NOS1 2491/4885HTT 1403/4885PTK2 4060/4885
US-20070197561-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 NOS1 4035/4885HTT 1391/4885PTK2 3836/4885
US-20030096830-A1 Inhibitors of nucleoside metabolism CFH, NADK, UGT1A3 NOS1 3125/4885HTT 888/4885PTK2 3144/4885

“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.

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