SCHEMBL10267453

SCHEMBL10267453

CNc1nc(C)nc(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAP2K7 O14733 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL5672159 0.77 TLR8 (0.33) NPSR1ALDH1A1MAPTTLR8TLR7
SCHEMBL22281770 0.77 TRIM58 (0.34)
SCHEMBL12303153 0.76 KDM4E (0.32)
SCHEMBL2371941 0.75 MAP2K7 (0.30) MAP2K7
SCHEMBL12303154 0.75 PDK2 (0.36) MAP2K7
SCHEMBL30329676 0.75 YTHDC1 (0.46) ALDH1A1MAPT
SCHEMBL9287279 0.75 TLR8 (0.53) ALDH1A1TLR8TLR7
SCHEMBL10267528 0.73 PDE10A (0.41) NPSR1ALDH1A1MAPT
SCHEMBL11916234 0.73 TLR8 (0.43) NPSR1ALDH1A1TLR8TLR7
SCHEMBL77166 0.73 LMNA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MERCK SHARP & DOHME LLC (US) 2023-01-03 US disclosed
US-10875885-B2 β-d-2′-deoxy-2′-α-fluoro-2′-β-c-substituted-2-modified-n6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
US-20200331956-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT Atea Pharmaceuticals, Inc. (US) 2020-10-22 US disclosed
US-10711029-B2 Beta-d-2′-deoxy-2′-alpha-fluoro-2′-beta-c-substituted-4′fluoro-n6-substituted-6-amino-2-substituted purine nucleotides for the treatment of hepatitis c virus infection Atea Pharmaceuticals, Inc. (US) 2020-07-14 US disclosed
US-20190153017-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-4'-FLUORO-N6-SUBSTITUTED-6-AMINO-2-SUBSTITUTED PURINE NUCLEOTIDES FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTION Atea Pharmaceuticals, Inc. (US) 2019-05-23 US disclosed
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-07-10 US disclosed
US-8664219-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-04 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8426425-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20110224197-A1 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-15 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20110020376-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-20100022507-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (13 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-20110020376-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKDC, MAP3K5, MAP3K20 NPSR1 4594/4885ALDH1A1 2841/4885MAPT 1503/4885
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKDC, MAP3K5, MAP3K20 NPSR1 4594/4885ALDH1A1 2841/4885MAPT 1503/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 NPSR1 3479/4885ALDH1A1 4768/4885MAPT 383/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP NPSR1 2839/4885ALDH1A1 2718/4885MAPT 3444/4885
US-20110224197-A1 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES GSK3B, CDK3, GSK3A NPSR1 4321/4885ALDH1A1 4707/4885MAPT 165/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A NPSR1 3425/4885ALDH1A1 4625/4885MAPT 314/4885
US-20200331956-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT NSUN2, NUDT1, DCTD NPSR1 2755/4885ALDH1A1 1397/4885MAPT 3735/4885
US-10875885-B2 β-d-2′-deoxy-2′-α-fluoro-2′-β-c-substituted-2-modified-n6-substituted purine nucleotides for HCV treatment NSUN2, PNP, NUDT1 NPSR1 2493/4885ALDH1A1 1295/4885MAPT 3365/4885
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MAVS, TLR3, DDX18 NPSR1 2869/4885ALDH1A1 2726/4885MAPT 4443/4885
US-20190153017-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-4'-FLUORO-N6-SUBSTITUTED-6-AMINO-2-SUBSTITUTED PURINE NUCLEOTIDES FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTION PNP, SLC29A2, NT5C2 NPSR1 3175/4885ALDH1A1 495/4885MAPT 4520/4885
US-20100022507-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K20, PRKDC NPSR1 4589/4885ALDH1A1 3071/4885MAPT 1250/4885
US-10711029-B2 Beta-d-2′-deoxy-2′-alpha-fluoro-2′-beta-c-substituted-4′fluoro-n6-substituted-6-amino-2-substituted purine nucleotides for the treatment of hepatitis c virus infection PNP, SLC29A2, NT5C2 NPSR1 3328/4885ALDH1A1 426/4885MAPT 4565/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 NPSR1 3513/4885ALDH1A1 1171/4885MAPT 2243/4885

“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.