SCHEMBL2070294

SCHEMBL2070294

O=C(NC1CCN(c2ncccc2Cl)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.65
MALT1 Q9UDY8 4/20 0.46
GRM5 P41594 1/20 0.46
USP30 Q70CQ3 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GRM4 Q14833 1/20 0.44
MAP4K4 O95819 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
SCHEMBL2070224 0.88 HPGDS (0.70) HPGDSGRM5USP30KMT2AMEN1
SCHEMBL2072456 0.88 HPGDS (0.68) HPGDSGRM5USP30
SCHEMBL2070565 0.88 HPGDS (0.63) HPGDSGRM5USP30KMT2AMEN1
SCHEMBL2073405 0.87 HPGDS (0.62) HPGDSMALT1GRM5USP30
SCHEMBL2070537 0.86 HPGDS (0.66) HPGDSGRM5USP30KMT2AMEN1
SCHEMBL2072260 0.86 HPGDS (0.61) HPGDSGRM5USP30KMT2AMEN1
SCHEMBL2072474 0.85 HPGDS (0.60) HPGDSGRM5USP30MAP4K4
SCHEMBL2071807 0.85 HPGDS (0.61) HPGDSGRM5USP30KMT2AMEN1
SCHEMBL2072035 0.85 HPGDS (0.59) HPGDSGRM5USP30KMT2AMEN1
SCHEMBL2071582 0.84 HPGDS (0.57) HPGDSGRM5USP30KMT2AMEN1

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 984/4885MALT1 2379/4885GRM5 3073/4885

“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.