SCHEMBL4838531

SCHEMBL4838531

Nc1nc(Cl)nc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ AHR P35869 1/20 0.35
▸ TNF P01375 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CCR8 P51685 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ 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
SCHEMBL1674225 0.79 DYRK1A (0.53) DYRK1AAHRTNFRIPK1MAPK1
SCHEMBL17223741 0.79 PDPK1 (0.44) DYRK1A
SCHEMBL29421618 0.79 PDPK1 (0.44) DYRK1A
SCHEMBL24175031 0.76 NPY5R (0.46) DYRK1AHTTMAPK1SMN1; SMN2
SCHEMBL12804489 0.76 DYRK1A (0.41) DYRK1AAHRTNFRIPK1MAPK1
SCHEMBL4838737 0.76 DYRK1A (0.41) DYRK1AAHRTNFRIPK1MAPK1
SCHEMBL4106056 0.72 DYRK1A (0.50) DYRK1AAHRTNFRIPK1CCR8
SCHEMBL31745118 0.72 PIK3CA (0.31) DYRK1ATNFRIPK1MAPK1PIK3CA
SCHEMBL14641706 0.72 DYRK1A (0.38) DYRK1AAHRTNFRIPK1
SCHEMBL18194341 0.72 XDH (0.51) DYRK1AAHR

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 1535/4885HTT 1391/4885AHR 497/4885
US-20020061898-A1 Inhibitors of nucleoside metabolism PNP, APRT, NUDT14 DYRK1A 2620/4885HTT 1403/4885AHR 3625/4885
US-20070197561-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 DYRK1A 1535/4885HTT 1391/4885AHR 497/4885
US-20030096830-A1 Inhibitors of nucleoside metabolism CFH, NADK, UGT1A3 DYRK1A 1576/4885HTT 888/4885AHR 330/4885

“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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