SCHEMBL2072793

SCHEMBL2072793

Cc1noc(NC(=O)c2cccnc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.52
HTT P42858 1/20 0.44
GABRA5 P31644 4/20 0.44
USP30 Q70CQ3 2/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
LRRK2 Q5S007 1/20 0.37
WNT3A P56704 1/20 0.37

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
SCHEMBL2072710 0.86 HPGDS (0.55) HPGDSGABRA5USP30ALDH1A1MEN1
SCHEMBL2071582 0.82 HPGDS (0.57) HPGDSUSP30MEN1CYP1A2CYP3A4
SCHEMBL2073405 0.81 HPGDS (0.62) HPGDSGABRA5USP30ADORA3
SCHEMBL2073800 0.81 HPGDS (0.56) HPGDSGABRA5USP30MEN1CYP1A2
SCHEMBL2070565 0.81 HPGDS (0.63) HPGDSGABRA5USP30MEN1CYP1A2
SCHEMBL2070380 0.80 HPGDS (0.60) HPGDSGABRA5USP30ALDH1A1MEN1
SCHEMBL2073348 0.80 HPGDS (0.60) HPGDSGABRA5USP30ALDH1A1LMNA
SCHEMBL2071807 0.79 HPGDS (0.61) HPGDSGABRA5USP30MEN1CYP1A2
SCHEMBL2072260 0.79 HPGDS (0.61) HPGDSGABRA5USP30ALDH1A1MEN1
SCHEMBL2071446 0.79 HPGDS (0.63) HPGDSGABRA5USP30PDE10AADORA3

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 984/4885HTT 3053/4885GABRA5 1998/4885

“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.