SCHEMBL4838737

SCHEMBL4838737

Oc1nc(Cl)nc2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.41
▸ AHR P35869 1/20 0.35
▸ RIPK1 Q13546 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ CD38 P28907 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CCR8 P51685 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 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
SCHEMBL4840039 0.79 DYRK1A (0.35) DYRK1ARIPK1CD38MAPK1PIK3CA
SCHEMBL1674225 0.79 DYRK1A (0.53) DYRK1AAHRRIPK1TNFCD38
SCHEMBL18711719 0.78 KDR (0.45) DYRK1ARIPK1CD38MAPK1PIK3CA
SCHEMBL4872319 0.76 DYRK1A (0.33) DYRK1ARIPK1MAPK1PIK3CAMTOR
SCHEMBL4838531 0.76 DYRK1A (0.41) DYRK1AAHRRIPK1TNFMAPK1
SCHEMBL12804489 0.76 DYRK1A (0.41) DYRK1AAHRRIPK1TNFCD38
SCHEMBL29495204 0.74 CD38 (0.39) DYRK1ACD38
SCHEMBL18194341 0.72 XDH (0.51) DYRK1AAHRCD38
SCHEMBL18711832 0.72 TYK2 (0.41) DYRK1ACD38
SCHEMBL14641706 0.72 DYRK1A (0.38) DYRK1AAHRRIPK1TNFCD38

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 17 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
CN-100393722-C Inhibitors of nucleoside metabolism EINSTEIN COLL MED (US) 2008-06-11 — — CN 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
CN-1757646-A Inhibitors of nucleoside metabolism EINSTEIN COLL MED (US) 2006-04-12 — — CN disclosed
CN-1220695-C Inhibitors of nucleoside metabolism ALBERT EINSTEIN MEDICAL COLLAG (US) 2005-09-28 — — CN 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
CN-1279686-A Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLAGE OF MED (US) 2001-01-10 — — CN 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 DYRK1A 1535/4885AHR 497/4885RIPK1 4743/4885
US-20020061898-A1 Inhibitors of nucleoside metabolism PNP, APRT, NUDT14 DYRK1A 2620/4885AHR 3625/4885RIPK1 3275/4885
US-20070197561-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 DYRK1A 1535/4885AHR 497/4885RIPK1 4743/4885
US-20030096830-A1 Inhibitors of nucleoside metabolism CFH, NADK, UGT1A3 DYRK1A 1576/4885AHR 330/4885RIPK1 4765/4885

“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.

Send feedback