SCHEMBL3320036

SCHEMBL3320036

Oc1nc(O)c2[nH]ncc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NOS1 P29475 2/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ RET P07949 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ LTK P29376 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MAP2K2 P36507 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ PRKX P51817 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31

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
SCHEMBL21958684 0.79 HTT (0.44) PTK2HTTFGFR1
SCHEMBL24121744 0.79 HTT (0.44) PTK2HTTFGFR1
SCHEMBL4838398 0.79 NOS1 (0.37) PTK2HTTNOS1
SCHEMBL8423993 0.78 HTT (0.42) PTK2HTT
SCHEMBL23703901 0.71 PTK2 (0.33) PTK2HTTPLK4CHEK1AURKA
SCHEMBL15488747 0.68 PTK2 (0.36) PTK2HTTNOS1PLK4CHEK1
SCHEMBL23711614 0.68 PIK3C3 (0.40) PTK2HTTROCK1
Oxypurinol SCHEMBL49280 0.65 SMN1; SMN2 (0.38) HTTCHEK1RETFGFR1LRRK2
SCHEMBL4840039 0.65 DYRK1A (0.35) KDR
SCHEMBL5337466 0.65 DYRK1A (0.39) HTTNOS1CHEK1FGFR1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021148010-A1 PYRAZOLO HETEROARYL RING COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-07-29 — — WO disclosed
EP-2069348-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-12-30 — — EP disclosed
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-7563798-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-21 — — US disclosed
EP-2069348-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2009-06-17 — — EP disclosed
EP-1942900-A2 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2008-07-16 — — EP disclosed
US-7390890-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-06-24 — — US disclosed
WO-2008045266-A2 PYRAZOLOPYRIMIDIWES AS CYCLIN DEPENDENT KINASE INHIBITOR SCHERING CORPORATION (US) 2008-04-17 — — WO 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
WO-2004106341-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 — — WO 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 PTK2 3836/4885HTT 1391/4885NOS1 4035/4885
US-20020061898-A1 Inhibitors of nucleoside metabolism PNP, APRT, NUDT14 PTK2 4060/4885HTT 1403/4885NOS1 2491/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 PTK2 220/4885HTT 3154/4885NOS1 4059/4885
US-20030096830-A1 Inhibitors of nucleoside metabolism CFH, NADK, UGT1A3 PTK2 3144/4885HTT 888/4885NOS1 3125/4885

“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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