SCHEMBL12844128

SCHEMBL12844128

CCc1ncnc2c1ncn2C(CC)COC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
ADA P00813 4/20 0.33
PDE2A O00408 2/20 0.33
CYP3A4 P08684 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12843976 0.86 ADORA2A (0.44) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL12844193 0.83 ADORA2A (0.44) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL12141915 0.82 ADORA2A (0.45) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL12775421 0.81 ADORA2A (0.41) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL12844130 0.77 ADORA2A (0.60) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL22399681 0.75 ADORA2A (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL7570558 0.70 CNR2 (0.38)
SCHEMBL12143402 0.70 ADORA2A (0.46) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL12843997 0.69 ADORA1 (0.56) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL24539005 0.68 ADORA2A (0.60) ADORA2AADORA2BADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ADORA2A 670/4885ADORA2B 726/4885ADORA1 283/4885

“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.