SCHEMBL2073158

SCHEMBL2073158

COc1cccc(Cn2nnnc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.57
PRKAA2 P54646 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CCR3 P51677 2/20 0.47
DRD4 P21917 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.46
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
POLB P06746 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 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
SCHEMBL2070272 0.87 HPGDS (0.54) HPGDSLMNAHTTDRD4ALDH1A1
SCHEMBL2070158 0.86 HPGDS (0.71) HPGDSPRKAA2CCR3DRD4KCNH2
SCHEMBL2072348 0.85 HPGDS (0.55) HPGDSPRKAA2
SCHEMBL5061048 0.84 HPGDS (0.61) HPGDSDRD4ALDH1A1DRD2POLB
SCHEMBL2071036 0.84 HPGDS (0.61) HPGDSDRD4ALDH1A1DRD2POLB
SCHEMBL2070062 0.82 HPGDS (0.63) HPGDSALDH1A1POLB
SCHEMBL2072897 0.81 HPGDS (0.56) HPGDSLMNAALDH1A1MEN1KMT2A
SCHEMBL2073082 0.81 HPGDS (0.57) HPGDSALDH1A1POLB
SCHEMBL2072512 0.81 HPGDS (0.68) HPGDSPRKAA2CCR3DRD4MCHR1
SCHEMBL2071903 0.81 HPGDS (0.61) HPGDSALDH1A1POLB

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 984/4885PRKAA2 1504/4885LMNA 1093/4885

“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.