SCHEMBL2070459

SCHEMBL2070459

O=C(NC1CCN(c2cnc3ccccc3n2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.64
CKS1B P61024 4/20 0.52
SKP1 P63208 4/20 0.52
SKP2 Q13309 4/20 0.52
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
USP30 Q70CQ3 1/20 0.48
MAP4K4 O95819 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GRM5 P41594 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
GABRA5 P31644 2/20 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
SCHEMBL2071663 0.91 HCRTR1 (0.56) HPGDSHCRTR1HCRTR2USP30MAP4K4
SCHEMBL2071033 0.88 HPGDS (0.58) HPGDSCKS1BSKP1SKP2USP30
SCHEMBL2072772 0.86 HPGDS (0.64) HPGDSCKS1BSKP1SKP2USP30
SCHEMBL2073644 0.85 HPGDS (0.68) HPGDSUSP30DRD2DRD4
SCHEMBL2070824 0.84 HPGDS (0.67) HPGDSCKS1BSKP1SKP2USP30
SCHEMBL2072521 0.84 HPGDS (0.62) HPGDSUSP30MAP4K4GABRA5
SCHEMBL2070318 0.84 HCRTR1 (0.53) HPGDSHCRTR1HCRTR2USP30MAP4K4
SCHEMBL2070314 0.84 HCRTR1 (0.53) HPGDSHCRTR1HCRTR2USP30MAP4K4
SCHEMBL2070316 0.84 HCRTR1 (0.53) HPGDSHCRTR1HCRTR2USP30MAP4K4
SCHEMBL2070530 0.84 HPGDS (0.66) HPGDSCKS1BSKP1SKP2USP30

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 984/4885CKS1B 2308/4885SKP1 2364/4885

“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.