SCHEMBL12620928

SCHEMBL12620928

CC(C)Cn1cnc2c(N)ncnc21

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.77
ADORA1 P30542 6/20 0.77
PI4KA P42356 4/20 0.68
PI4K2B Q8TCG2 4/20 0.68
PI4K2A Q9BTU6 4/20 0.68
PI4KB Q9UBF8 4/20 0.68
AHCY P23526 5/20 0.66
ADORA2B P29275 3/20 0.64
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.60

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
SCHEMBL8815696 0.89 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL25861 0.89 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1982410 0.87 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL904363 0.87 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29135598 0.87 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL17162883 0.87 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5810639 0.87 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL17162884 0.87 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29496348 0.87 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29135599 0.87 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
WO-2018022221-A1 PHOSPHORAMIDATE NUCLEOSIDE PRODRUG FOR TREATING VIRAL DISEASES AND CANCER, PROCESSES FOR THEIR PREPARATION AND THEIR USE ASAVI, LLC (US) 2018-02-01 WO disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-7935726-B1 Tricyclic pyrones KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-05-03 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 (2 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-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB ADORA2A 2591/4885ADORA1 3908/4885PI4KA 12/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB ADORA2A 2591/4885ADORA1 3908/4885PI4KA 12/4885

“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.