SCHEMBL2072275

SCHEMBL2072275

COc1ccc2ncnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.57
PAK1 Q13153 5/20 0.53
MTNR1B P49286 2/20 0.51
ENPP1 P22413 1/20 0.47
PDGFRB P09619 1/20 0.44
USP2 O75604 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
CHRM4 P08173 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 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
SCHEMBL2072061 0.94 HPGDS (0.57) HPGDSPAK1MTNR1BPDGFRB
SCHEMBL2070855 0.89 HPGDS (0.59) HPGDSPAK1
SCHEMBL2073544 0.86 HPGDS (0.62) HPGDSPAK1
SCHEMBL2071493 0.83 HPGDS (0.55) HPGDSPAK1ENPP1ALDH1A1WNT3A
SCHEMBL2071060 0.83 HPGDS (0.55) HPGDSPAK1ENPP1ALDH1A1WNT3A
SCHEMBL2072687 0.83 HPGDS (0.61) HPGDS
SCHEMBL2071595 0.82 HPGDS (0.56) HPGDSWNT3A
SCHEMBL2071670 0.82 HPGDS (0.61) HPGDSPAK1
SCHEMBL2072474 0.82 HPGDS (0.60) HPGDSPAK1
SCHEMBL2071086 0.82 PAK1 (0.71) HPGDSPAK1

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 1200/4885MTNR1B 377/4885

“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.