SCHEMBL2071060

SCHEMBL2071060

COc1ccc2c(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)ncnc2c1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.55
PAK1 Q13153 6/20 0.46
WNT3A P56704 2/20 0.45
MAP4K4 O95819 1/20 0.43
ENPP1 P22413 1/20 0.42
PDE1B Q01064 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GABRA5 P31644 1/20 0.40
GRM5 P41594 1/20 0.40
USP30 Q70CQ3 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL2071493 0.93 HPGDS (0.55) HPGDSPAK1WNT3AMAP4K4ENPP1
SCHEMBL2072061 0.85 HPGDS (0.57) HPGDSPAK1
SCHEMBL2073544 0.83 HPGDS (0.62) HPGDSPAK1MAP4K4GRM5USP30
SCHEMBL2072275 0.83 HPGDS (0.57) HPGDSPAK1WNT3AENPP1ALDH1A1
SCHEMBL2071494 0.82 HPGDS (0.53) HPGDSWNT3AMAP4K4ALDH1A1GABRA5
SCHEMBL2071670 0.81 HPGDS (0.61) HPGDSPAK1JAK2JAK3
SCHEMBL2072769 0.81 HPGDS (0.57) HPGDSWNT3AALDH1A1GABRA5GRM5
SCHEMBL2072474 0.80 HPGDS (0.60) HPGDSPAK1MAP4K4GRM5USP30
SCHEMBL2071086 0.80 PAK1 (0.71) HPGDSPAK1
SCHEMBL2070217 0.80 HPGDS (0.57) HPGDSPAK1MAP4K4ALDH1A1GABRA5

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 1200/4885WNT3A 3094/4885

“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.