SCHEMBL2072471

SCHEMBL2072471

Nc1nc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c2nc[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.61
MAP4K4 O95819 8/20 0.49
PAK1 Q13153 1/20 0.43
USP30 Q70CQ3 1/20 0.42
GRM5 P41594 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL2071183 0.83 HPGDS (0.57) HPGDSMAP4K4PAK1USP30GABRA5
SCHEMBL2072731 0.81 HPGDS (0.61) HPGDSMAP4K4USP30HDAC3HDAC1
SCHEMBL2072753 0.80 HPGDS (0.64) HPGDSMAP4K4USP30GRM5GABRA5
SCHEMBL2070537 0.80 HPGDS (0.66) HPGDSMAP4K4PAK1USP30GRM5
SCHEMBL2071670 0.79 HPGDS (0.61) HPGDSPAK1
SCHEMBL2070565 0.79 HPGDS (0.63) HPGDSMAP4K4PAK1USP30GRM5
SCHEMBL2070224 0.79 HPGDS (0.70) HPGDSMAP4K4USP30GRM5GABRA5
SCHEMBL2070294 0.79 HPGDS (0.65) HPGDSMAP4K4USP30GRM5
SCHEMBL2071086 0.79 PAK1 (0.71) HPGDSPAK1
SCHEMBL14190145 0.79 HPGDS (0.75) HPGDSMAP4K4USP30GRM5GABRA5

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 984/4885MAP4K4 1602/4885PAK1 1200/4885

“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.