SCHEMBL2071582

SCHEMBL2071582

N#Cc1ccc(C(=O)c2cccnc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.57
USP30 Q70CQ3 2/20 0.47
PRKAA2 P54646 8/20 0.44
PRKAB2 O43741 3/20 0.43
PRKAG1 P54619 3/20 0.43
PRKAA1 Q13131 3/20 0.43
PRKAG3 Q9UGI9 3/20 0.43
PRKAG2 Q9UGJ0 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
GRM5 P41594 1/20 0.43
MAP4K4 O95819 1/20 0.42
EGLN1 Q9GZT9 3/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2073800 0.90 HPGDS (0.56) HPGDSUSP30GRM5MAP4K4MEN1
SCHEMBL2073405 0.87 HPGDS (0.62) HPGDSUSP30GRM5
SCHEMBL2072035 0.86 HPGDS (0.59) HPGDSUSP30GRM5MAP4K4MEN1
SCHEMBL2070565 0.86 HPGDS (0.63) HPGDSUSP30GRM5MAP4K4MEN1
SCHEMBL2072818 0.86 HPGDS (0.57) HPGDSUSP30GRM5MAP4K4MEN1
SCHEMBL2072260 0.85 HPGDS (0.61) HPGDSUSP30PRKAA2GRM5MAP4K4
SCHEMBL2071446 0.84 HPGDS (0.63) HPGDSUSP30GRM5MAP4K4
SCHEMBL2070294 0.84 HPGDS (0.65) HPGDSUSP30GRM5MAP4K4MEN1
SCHEMBL2071807 0.83 HPGDS (0.61) HPGDSUSP30GRM5MAP4K4MEN1
SCHEMBL2072793 0.82 HPGDS (0.52) HPGDSUSP30MEN1CYP1A2CYP3A4

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 984/4885USP30 4416/4885PRKAA2 1504/4885

“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.