SCHEMBL12141945

SCHEMBL12141945

CC(C)c1ncnc2c1ncn2C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.61
▸ PI4KA P42356 4/20 0.61
▸ PI4K2B Q8TCG2 4/20 0.61
▸ PI4K2A Q9BTU6 4/20 0.61
▸ PI4KB Q9UBF8 4/20 0.61
▸ ADORA1 P30542 4/20 0.61
▸ ADORA3 P0DMS8 3/20 0.61
▸ ADORA2B P29275 2/20 0.57
▸ NFKB1 P19838 3/20 0.54
▸ BLM P54132 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ THPO P40225 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ YTHDC1 Q96MU7 1/20 0.52
▸ CYP2C19 P33261 1/20 0.42
▸ CTSL P07711 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 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
SCHEMBL12141939 0.94 ADORA2A (0.59) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12141973 0.81 CYP2C19 (0.67) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12775261 0.80 AHCY (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12141869 0.80 AHCY (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12143426 0.80 ADORA2A (0.67) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL978424 0.76 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL24708227 0.76 YTHDC1 (0.88) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12844563 0.76 ADORA2A (0.61) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12775424 0.76 ADORA2A (0.61) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL4477213 0.75 PI4KA (0.41) ADORA2API4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S ADORA2A 2744/4885PI4KA 4412/4885PI4K2B 4569/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ADORA2A 670/4885PI4KA 3049/4885PI4K2B 3513/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S ADORA2A 2744/4885PI4KA 4412/4885PI4K2B 4569/4885

“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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