SCHEMBL2072791

SCHEMBL2072791

O=C(NC1CCN(c2cc(Nc3cc[nH]n3)ncn2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.56
METTL3 Q86U44 1/20 0.46
USP30 Q70CQ3 3/20 0.42
MAP4K4 O95819 1/20 0.40
GABRA5 P31644 2/20 0.40
PAK1 Q13153 1/20 0.40
GRM5 P41594 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL2070515 0.85 HPGDS (0.55) HPGDS
SCHEMBL2071695 0.82 HPGDS (0.61) HPGDSMETTL3USP30GABRA5GRM5
SCHEMBL2072769 0.79 HPGDS (0.57) HPGDSMETTL3USP30GABRA5GRM5
SCHEMBL2070824 0.78 HPGDS (0.67) HPGDSUSP30ADORA3CKS1BSKP1
SCHEMBL2070459 0.78 HPGDS (0.64) HPGDSUSP30MAP4K4GABRA5GRM5
SCHEMBL2070542 0.78 HPGDS (0.57) HPGDSMETTL3USP30GABRA5GRM5
SCHEMBL2072845 0.78 HPGDS (0.66) HPGDSUSP30MAP4K4ADORA3HDAC3
SCHEMBL2070530 0.78 HPGDS (0.66) HPGDSUSP30MAP4K4GABRA5GRM5
SCHEMBL2071670 0.78 HPGDS (0.61) HPGDSPAK1
SCHEMBL2070224 0.77 HPGDS (0.70) HPGDSUSP30MAP4K4GABRA5GRM5

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 984/4885METTL3 4095/4885USP30 4416/4885

“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.