SCHEMBL2072348

SCHEMBL2072348

N#Cc1ccc(Cn2nnnc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
PRKAA2 P54646 18/20 0.50
PRKAB2 O43741 10/20 0.47
PRKAG1 P54619 10/20 0.47
PRKAA1 Q13131 10/20 0.47
PRKAG3 Q9UGI9 10/20 0.47
PRKAG2 Q9UGJ0 10/20 0.47
PRKAB1 Q9Y478 10/20 0.47
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL2073468 0.86 HPGDS (0.68) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2073158 0.85 HPGDS (0.57) HPGDSPRKAA2
SCHEMBL5061048 0.85 HPGDS (0.61) HPGDSUSP30
SCHEMBL2071036 0.85 HPGDS (0.61) HPGDSUSP30
SCHEMBL2070272 0.82 HPGDS (0.54) HPGDS
SCHEMBL2070062 0.81 HPGDS (0.63) HPGDSUSP30
SCHEMBL2071903 0.80 HPGDS (0.61) HPGDSUSP30
SCHEMBL2072637 0.79 HPGDS (0.67) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2070308 0.79 HPGDS (0.60) HPGDSUSP30
SCHEMBL2071769 0.78 HPGDS (0.57) HPGDSUSP30

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 HPGDS 984/4885PRKAA2 1504/4885PRKAB2 1121/4885

“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.