SCHEMBL2070855

SCHEMBL2070855

O=C(NC1CCN(c2ncnc3ccc(Cl)cc23)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.59
PAK1 Q13153 8/20 0.49
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CNR1 P21554 3/20 0.44
CNR2 P34972 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAP4K4 O95819 2/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL2073544 0.89 HPGDS (0.62) HPGDSPAK1MKNK1MKNK2MAP4K4
SCHEMBL2072275 0.89 HPGDS (0.57) HPGDSPAK1
SCHEMBL2071670 0.85 HPGDS (0.61) HPGDSPAK1
SCHEMBL2072474 0.84 HPGDS (0.60) HPGDSPAK1MAP4K4USP30
SCHEMBL2071086 0.84 PAK1 (0.71) HPGDSPAK1
SCHEMBL2072061 0.84 HPGDS (0.57) HPGDSPAK1
SCHEMBL2070294 0.83 HPGDS (0.65) HPGDSMAP4K4USP30
SCHEMBL2072029 0.83 HPGDS (0.65) HPGDSCNR2USP30
SCHEMBL2071493 0.81 HPGDS (0.55) HPGDSPAK1MAP4K4USP30
SCHEMBL2070714 0.80 HPGDS (0.59) HPGDSPAK1CNR1CNR2MKNK1

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 4 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
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO 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 984/4885PAK1 1200/4885STK4 2465/4885

“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.