SCHEMBL17364277

SCHEMBL17364277

CCCn1cnc2c(-n3ccc(=O)cc3)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.55
ADORA2A P29274 6/20 0.54
ADORA1 P30542 5/20 0.54
ADORA2B P29275 1/20 0.54
TMIGD3 P0DMS9 3/20 0.46
TLR7 Q9NYK1 7/20 0.44
TLR9 Q9NR96 1/20 0.44
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PDE4A P27815 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE1C Q14123 1/20 0.40
PI4KA P42356 1/20 0.39

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
SCHEMBL17364276 0.89 ADORA2A (0.51) HTR2CADORA2AADORA1ADORA2BTMIGD3
SCHEMBL29387721 0.70 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL233405 0.70 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23436498 0.70 ADORA2A (0.66) HTR2CADORA2AADORA1ADORA2BTMIGD3
SCHEMBL17364304 0.69 CDK1 (0.57) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL17364299 0.69 CDK1 (0.40) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Water SCHEMBL27886802 0.69 ADORA2A (0.97) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL17364307 0.69 ADORA2A (0.50) HTR2CADORA2AADORA1ADORA2BTMIGD3
SCHEMBL22326733 0.68 ADORA2A (0.62) HTR2CADORA2AADORA1ADORA2BTMIGD3
SCHEMBL12112259 0.68 ADORA2A (0.54) HTR2CADORA2AADORA1ADORA2BTMIGD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B HTR2C 1708/4885ADORA2A 36/4885ADORA1 174/4885

“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.