SCHEMBL20208091

SCHEMBL20208091

CNNn1cnc2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.56
ADORA1 P30542 9/20 0.56
PI4KA P42356 10/20 0.51
PI4K2B Q8TCG2 10/20 0.51
PI4K2A Q9BTU6 10/20 0.51
PI4KB Q9UBF8 10/20 0.51
ADORA2B P29275 4/20 0.51
EGFR P00533 1/20 0.45
AHCY P23526 2/20 0.44
ADORA3 P0DMS8 2/20 0.44

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
SCHEMBL9120 0.86 ADORA2A (0.59) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22399264 0.80 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24239210 0.78 CDK1 (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28004601 0.78 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28004916 0.78 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22326711 0.77 CYP1A2 (0.49) ADORA2AADORA1
SCHEMBL22402773 0.77 FLT4 (0.42) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28210687 0.76 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL48453 0.75 ADORA2A (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29138713 0.74 ADORA2A (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071747-B2 Use of NAD precursors for breast enhancement UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2021-07-27 US disclosed
US-20210106606-A1 USE OF NAD PRECURSORS FOR IMPROVING MATERNAL HEALTH AND/OR OFFSPRING HEALTH UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2021-04-15 US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 US disclosed
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 US disclosed
US-20190322696-A1 3'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2019-10-24 US disclosed
US-20180147225-A1 USE OF NAD PRECURSORS FOR BREAST ENHANCEMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-05-31 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 (6 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-11071747-B2 Use of NAD precursors for breast enhancement NQO1, NNT, NAMPT ADORA2A 102/4885ADORA1 161/4885PI4KA 3736/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA2A 228/4885ADORA1 314/4885PI4KA 770/4885
US-20190322696-A1 3'3'-CYCLIC DINUCLEOTIDES STING1, CGAS, MAVS ADORA2A 2610/4885ADORA1 3479/4885PI4KA 574/4885
US-20180147225-A1 USE OF NAD PRECURSORS FOR BREAST ENHANCEMENT NQO1, NNT, NAMPT ADORA2A 102/4885ADORA1 161/4885PI4KA 3736/4885
US-20210106606-A1 USE OF NAD PRECURSORS FOR IMPROVING MATERNAL HEALTH AND/OR OFFSPRING HEALTH NQO1, NNT, SIRT3 ADORA2A 473/4885ADORA1 607/4885PI4KA 4365/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA2A 900/4885ADORA1 1640/4885PI4KA 502/4885

“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.