SCHEMBL12775503

SCHEMBL12775503

Cc1cnc(Cn2cnc3c(C(C)(C)C)ncnc32)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 3/20 0.39
▸ PI4K2B Q8TCG2 3/20 0.39
▸ PI4K2A Q9BTU6 3/20 0.39
▸ PI4KB Q9UBF8 3/20 0.39
▸ ADORA2A P29274 3/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL14094607 0.83 ADORA2A (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12775195 0.79 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12775281 0.75 ADORA2A (0.60) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12775412 0.72 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL14347524 0.70 CYP1A2 (0.51) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12775415 0.69 TLR7 (0.52) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21073962 0.69 CDK1 (0.44) —
SCHEMBL179252 0.67 ADORA1 (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL4569753 0.66 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL11916082 0.64 CNR2 (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A

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 PI4KA 3049/4885PI4K2B 3513/4885PI4K2A 3754/4885

“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.

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