SCHEMBL2073340

SCHEMBL2073340

O=C(NC1CCN(c2nncc3ccccc23)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.62
MAPK14 Q16539 2/20 0.54
USP30 Q70CQ3 1/20 0.47
MAP4K4 O95819 2/20 0.46
LCK P06239 1/20 0.46
KIT P10721 1/20 0.46
KDR P35968 1/20 0.46
MAPK9 P45984 1/20 0.46
PAK1 Q13153 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
GRM5 P41594 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
GABRA5 P31644 2/20 0.41

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
SCHEMBL2072507 0.86 HPGDS (0.62) HPGDSMAPK14USP30MAP4K4PAK1
SCHEMBL2070537 0.84 HPGDS (0.66) HPGDSUSP30MAP4K4PAK1KMT2A
SCHEMBL2072753 0.82 HPGDS (0.64) HPGDSUSP30MAP4K4KMT2ADRD2
SCHEMBL2072772 0.82 HPGDS (0.64) HPGDSUSP30MAP4K4DRD2DRD4
SCHEMBL2071670 0.82 HPGDS (0.61) HPGDSKITPAK1
SCHEMBL2070224 0.82 HPGDS (0.70) HPGDSUSP30MAP4K4KMT2AGRM5
SCHEMBL2070294 0.81 HPGDS (0.65) HPGDSUSP30MAP4K4KMT2ADRD2
SCHEMBL2071398 0.81 HPGDS (0.65) HPGDSUSP30MAP4K4KMT2ADRD2
SCHEMBL2072474 0.81 HPGDS (0.60) HPGDSUSP30MAP4K4PAK1GRM5
SCHEMBL14190145 0.81 HPGDS (0.75) HPGDSUSP30MAP4K4KMT2ADRD2

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 984/4885MAPK14 2235/4885USP30 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.