SCHEMBL12775195

SCHEMBL12775195

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ PI4KA P42356 3/20 0.35
▸ PI4K2B Q8TCG2 3/20 0.35
▸ PI4K2A Q9BTU6 3/20 0.35
▸ PI4KB Q9UBF8 3/20 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
▸ FGFR1 P11362 2/20 0.34
▸ FGFR4 P22455 2/20 0.34
▸ 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

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) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12775503 0.79 PI4KA (0.39) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12141881 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12143521 0.71 PI4KA (0.47) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21073962 0.69 CDK1 (0.44) —
SCHEMBL12141916 0.69 TLR7 (0.52) ADORA2AADORA1CYP1A2CYP2D6MAPK1
SCHEMBL12141962 0.67 ADORA1 (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12141941 0.66 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9850316 0.66 ADORA2A (0.42) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19050172 0.66 ADORA2A (0.39) 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-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-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-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — 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 (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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ADORA2A 670/4885ADORA1 283/4885PI4KA 3049/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S ADORA2A 2744/4885ADORA1 2120/4885PI4KA 4412/4885

“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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