SCHEMBL17364335

SCHEMBL17364335

CCn1cnc2c(OC)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.60
ADORA1 P30542 3/20 0.60
PI4KA P42356 2/20 0.60
PI4K2B Q8TCG2 2/20 0.60
PI4K2A Q9BTU6 2/20 0.60
PI4KB Q9UBF8 2/20 0.60
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
DAPK1 P53355 1/20 0.46
ADORA2B P29275 2/20 0.45
TMIGD3 P0DMS9 1/20 0.45
NSD3 Q9BZ95 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42

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
SCHEMBL22326733 0.87 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24021954 0.82 FLT4 (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8769186 0.80 FLT4 (0.72) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8465881 0.77 ADORA2A (0.56) ADORA2AADORA1FLT4KDRHPGD
SCHEMBL4379586 0.77 ADORA1 (0.56) ADORA2AADORA1FLT4KDRHPGD
SCHEMBL14190719 0.77 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL14659198 0.76 FLT4 (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL17364311 0.76 CDK1 (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL17364319 0.76 CDK1 (0.67) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3393884 0.75 HSP90AA1 (0.48) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524815-B 8-alkoxypurine derivative and preparation method and application thereof 华南理工大学 2023-05-23 CN disclosed
EP-4008403-A1 CYCLIC DI-NUCLEOTIDES COMPOUNDS FOR THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-06-08 EP disclosed
CN-114524815-A 8-alkoxy purine derivative and preparation method and application thereof 华南理工大学 2022-05-24 CN disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 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 (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-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA2A 900/4885ADORA1 1640/4885PI4KA 502/4885
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B ADORA2A 36/4885ADORA1 174/4885PI4KA 718/4885

“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.