SCHEMBL23621027

SCHEMBL23621027

CCOc1nc2c(N)ncnc2n1CC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.47
ADORA1 P30542 15/20 0.47
ADORA2B P29275 13/20 0.47
ADORA3 P0DMS8 11/20 0.47
FBP1 P09467 1/20 0.40
PDE8B O95263 1/20 0.38
HSPA5 P11021 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
KCNH2 Q12809 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 0.95 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL23620924 0.85 TLR7 (0.44) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL15689328 0.81 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL29394367 0.81 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL17935695 0.81 ADORA3 (0.52) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL17935694 0.75 ADORA3 (0.54) ADORA2AADORA1ADORA2BADORA3ABL1
SCHEMBL23621012 0.75 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL4903374 0.75 ABL1 (0.38) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL4298068 0.74 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3
SCHEMBL17935693 0.68 ADORA3 (0.47) ADORA2AADORA1ADORA2BADORA3FBP1

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 ADORA2A 1/4885ADORA1 3/4885ADORA2B 4/4885
US-20230322782-A1 SMALL MOLECULES FOR THE TREATMENT OF PRIMARY CANCER AND CANCER METASTASIS EPCAM, MKI67, KRAS ADORA2A 3164/4885ADORA1 3923/4885ADORA2B 3679/4885
US-20210206769-A1 Small Molecules for the Treatment of Primary Cancer and Cancer Metastasis ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 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.