SCHEMBL3821565

SCHEMBL3821565

COc1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 9/20 0.57
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 2/20 0.55
PDE8A O60658 1/20 0.53
CCNE2 O96020 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
ADORA2A P29274 1/20 0.52
HPGD P15428 1/20 0.50
CTSL P07711 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL5161254 0.88 CCNE2 (0.52) YTHDC1HSP90AA1HSP90AB1PDE8ACCNE2
SCHEMBL29366555 0.88 HSP90AA1 (0.54) YTHDC1HSP90AA1HSP90AB1ADORA2AHPGD
SCHEMBL14441142 0.88 HSP90AB1 (0.54) YTHDC1HSP90AA1HSP90AB1ADORA2AHPGD
SCHEMBL30496438 0.88 YTHDC1 (0.56) YTHDC1PDE8ACCNE2CCNE1CDK2
SCHEMBL21801296 0.88 YTHDC1 (0.56) YTHDC1PDE8ACCNE2CCNE1CDK2
SCHEMBL5471657 0.88 HSP90AA1 (0.54) YTHDC1HSP90AA1HSP90AB1ADORA2AHPGD
SCHEMBL3389606 0.87 HSP90AB1 (0.71) HSP90AA1HSP90AB1ADORA2AHDAC4HDAC1
SCHEMBL29366455 0.87 HSP90AB1 (0.71) HSP90AA1HSP90AB1ADORA2AHDAC4HDAC1
SCHEMBL5461518 0.87 HSP90AA1 (0.53) YTHDC1HSP90AA1HSP90AB1ADORA2AHPGD
SCHEMBL5458838 0.86 YTHDC1 (0.76) YTHDC1HSP90AA1HSP90AB1PDE8AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333424-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2025-10-30 US disclosed
US-12157739-B2 Hypoxanthine compounds KISSEI PHARMACEUTICAL CO., LTD. (JP) 2024-12-03 US disclosed
CN-115244054-B Crystals of hypoxanthine compound 橘生药品工业株式会社 2024-07-16 CN disclosed
CN-113302196-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2023-08-04 CN disclosed
CN-112673008-B Hypoxanthine compounds 橘生药品工业株式会社 2023-07-18 CN disclosed
US-20230183241-A1 CRYSTAL OF A HYPOXANTHINE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2023-06-15 US disclosed
EP-4092028-A1 CRYSTAL OF HYPOXANTHINE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2022-11-23 EP disclosed
CN-115244054-A Crystals of hypoxanthine compound 橘生药品工业株式会社 2022-10-25 CN disclosed
US-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 US disclosed
US-20220064196-A1 EGFR Inhibitors, Compositions and Methods Thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-03-03 US disclosed
EP-2220091-A2 REVERSE TRANSCRIPTASE INHIBITORS Ardea Biosciences, Inc. (US) 2010-08-25 EP disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 WO disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 US disclosed
EP-2004648-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER Vernalis (R&D) Limited (GB) 2008-12-24 EP disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
WO-2007034185-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (R & D) LTD. (GB) 2007-03-29 WO disclosed
WO-2007034185-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (R & D) LTD. (GB) 2007-03-29 WO 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 (8 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-12157739-B2 Hypoxanthine compounds HPRT1, APRT, IMPDH1 YTHDC1 651/4885HSP90AA1 2003/4885HSP90AB1 2313/4885
US-20070203159-A1 Purine compounds PNP, UMPS, TYMP YTHDC1 632/4885HSP90AA1 4068/4885HSP90AB1 3579/4885
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer HSP90AA1, HSP90AB1, HSP90AB2P YTHDC1 1015/4885HSP90AA1 1/4885HSP90AB1 2/4885
US-20220064196-A1 EGFR Inhibitors, Compositions and Methods Thereof EGFR, ERBB2, ERBB3 YTHDC1 4761/4885HSP90AA1 1625/4885HSP90AB1 963/4885
US-20250333424-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 YTHDC1 533/4885HSP90AA1 1571/4885HSP90AB1 1097/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP YTHDC1 2508/4885HSP90AA1 2895/4885HSP90AB1 2755/4885
US-20230183241-A1 CRYSTAL OF A HYPOXANTHINE COMPOUND HPRT1, TPMT, NUDT1 YTHDC1 1206/4885HSP90AA1 1478/4885HSP90AB1 1663/4885
US-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, CGAS, MAVS YTHDC1 3968/4885HSP90AA1 1171/4885HSP90AB1 554/4885

“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.