SCHEMBL2073544

SCHEMBL2073544

O=C(NC1CCN(c2ncnc3cc(F)ccc23)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.62
PAK1 Q13153 7/20 0.54
SUV39H1 O43463 2/20 0.49
PRMT1 Q99873 2/20 0.49
SMYD3 Q9H7B4 2/20 0.49
MAP4K4 O95819 3/20 0.46
USP30 Q70CQ3 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
GRM5 P41594 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
SCHEMBL2072061 0.91 HPGDS (0.57) HPGDSPAK1SUV39H1PRMT1SMYD3
SCHEMBL2070855 0.89 HPGDS (0.59) HPGDSPAK1MAP4K4USP30MKNK1
SCHEMBL2071670 0.87 HPGDS (0.61) HPGDSPAK1
SCHEMBL2072474 0.86 HPGDS (0.60) HPGDSPAK1MAP4K4USP30GRM5
SCHEMBL2071086 0.86 PAK1 (0.71) HPGDSPAK1
SCHEMBL2072275 0.86 HPGDS (0.57) HPGDSPAK1
SCHEMBL2071060 0.83 HPGDS (0.55) HPGDSPAK1MAP4K4USP30GRM5
SCHEMBL2073961 0.82 HPGDS (0.64) HPGDSMAP4K4USP30GRM5
SCHEMBL2070714 0.82 HPGDS (0.59) HPGDSPAK1MAP4K4USP30MKNK1
SCHEMBL2070537 0.82 HPGDS (0.66) HPGDSPAK1MAP4K4USP30GRM5

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 984/4885PAK1 1200/4885SUV39H1 1450/4885

“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.