SCHEMBL2072818

SCHEMBL2072818

O=C(NC1CCN(c2ncccc2C(=O)c2nccs2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.57
MAP4K4 O95819 2/20 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
USP30 Q70CQ3 1/20 0.41
GABRA5 P31644 2/20 0.40
PDE10A Q9Y233 1/20 0.39
GRM5 P41594 2/20 0.39
PAK1 Q13153 1/20 0.38
SMO Q99835 1/20 0.38

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
SCHEMBL2072035 0.86 HPGDS (0.59) HPGDSMAP4K4MEN1CYP1A2CYP3A4
SCHEMBL2070565 0.86 HPGDS (0.63) HPGDSMAP4K4MEN1CYP1A2CYP3A4
SCHEMBL2071582 0.86 HPGDS (0.57) HPGDSMAP4K4MEN1CYP1A2CYP3A4
SCHEMBL2073800 0.85 HPGDS (0.56) HPGDSMAP4K4MEN1CYP1A2CYP3A4
SCHEMBL2072260 0.85 HPGDS (0.61) HPGDSMAP4K4MEN1CYP1A2CYP3A4
SCHEMBL2071807 0.83 HPGDS (0.61) HPGDSMAP4K4MEN1CYP1A2CYP3A4
SCHEMBL2070294 0.83 HPGDS (0.65) HPGDSMAP4K4MEN1KMT2AUSP30
SCHEMBL2073405 0.82 HPGDS (0.62) HPGDSUSP30GABRA5GRM5
SCHEMBL2070380 0.82 HPGDS (0.60) HPGDSMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2070818 0.82 HPGDS (0.57) HPGDSMAP4K4MEN1CYP1A2CYP3A4

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 984/4885MAP4K4 1602/4885MEN1 2003/4885

“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.