SCHEMBL23620924

SCHEMBL23620924

CCOc1nc2c(N)ncnc2n1CC1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.44
ADORA2A P29274 6/20 0.42
ADORA2B P29275 6/20 0.42
ADORA1 P30542 6/20 0.42
ADORA3 P0DMS8 4/20 0.42
TLR8 Q9NR97 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PIK3CA P42336 1/20 0.39
FBP1 P09467 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL23621142 0.87 ADORA2A (0.49) ADORA2AADORA2BADORA1ADORA3FBP1
SCHEMBL23621027 0.85 ADORA2A (0.47) ADORA2AADORA2BADORA1ADORA3FBP1
SCHEMBL17935693 0.83 ADORA3 (0.47) TLR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL29394367 0.76 ADORA2A (0.65) ADORA2AADORA2BADORA1ADORA3FBP1
SCHEMBL15689328 0.76 ADORA2A (0.65) ADORA2AADORA2BADORA1ADORA3FBP1
SCHEMBL2195761 0.73 TLR7 (0.55) TLR7TLR8
SCHEMBL23621012 0.71 ADORA2A (0.50) ADORA2AADORA2BADORA1ADORA3FBP1
SCHEMBL4903374 0.71 ABL1 (0.38) TLR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL2197689 0.70 TLR7 (0.46) TLR7
SCHEMBL4298068 0.70 ADORA2A (0.57) ADORA2AADORA2BADORA1ADORA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322782-A1 SMALL MOLECULES FOR THE TREATMENT OF PRIMARY CANCER AND CANCER METASTASIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-10-12 US disclosed
US-20230322782-A1 SMALL MOLECULES FOR THE TREATMENT OF PRIMARY CANCER AND CANCER METASTASIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-10-12 US disclosed
US-11680067-B2 Small molecules for the treatment of primary cancer and cancer metastasis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-06-20 US disclosed
US-11680067-B2 Small molecules for the treatment of primary cancer and cancer metastasis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-06-20 US disclosed
US-20210206769-A1 Small Molecules for the Treatment of Primary Cancer and Cancer Metastasis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-07-08 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 (3 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-11680067-B2 Small molecules for the treatment of primary cancer and cancer metastasis ADORA2A, ADORA3, ADORA1 TLR7 3754/4885ADORA2A 1/4885ADORA2B 4/4885
US-20230322782-A1 SMALL MOLECULES FOR THE TREATMENT OF PRIMARY CANCER AND CANCER METASTASIS EPCAM, MKI67, KRAS TLR7 4706/4885ADORA2A 3164/4885ADORA2B 3679/4885
US-20210206769-A1 Small Molecules for the Treatment of Primary Cancer and Cancer Metastasis ADORA2A, ADORA3, ADORA1 TLR7 3754/4885ADORA2A 1/4885ADORA2B 4/4885

“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.