SCHEMBL2072772

SCHEMBL2072772

O=C(NC1CCN(c2ncc3ccccc3n2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.64
USP30 Q70CQ3 1/20 0.48
MAP4K4 O95819 1/20 0.45
CCNE1 P24864 4/20 0.45
CDK2 P24941 4/20 0.45
STK17A Q9UEE5 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GRM5 P41594 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 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
SCHEMBL2073961 0.93 HPGDS (0.64) HPGDSUSP30MAP4K4CCNE1CDK2
SCHEMBL2070878 0.89 HPGDS (0.61) HPGDSUSP30MAP4K4CCNE1CDK2
SCHEMBL2070477 0.87 HPGDS (0.66) HPGDSUSP30MAP4K4CCNE1CDK2
SCHEMBL2070224 0.87 HPGDS (0.70) HPGDSUSP30MAP4K4CCNE1CDK2
SCHEMBL2072247 0.86 HPGDS (0.67) HPGDSUSP30MAP4K4CCNE1CDK2
SCHEMBL2070459 0.86 HPGDS (0.64) HPGDSUSP30MAP4K4DRD2DRD4
SCHEMBL2072521 0.84 HPGDS (0.62) HPGDSUSP30MAP4K4GABRA5
SCHEMBL2072011 0.83 HPGDS (0.66) HPGDSUSP30MAP4K4CCNE1CDK2
SCHEMBL2072754 0.83 HPGDS (0.61) HPGDSUSP30MAP4K4DRD2DRD4
SCHEMBL2071720 0.83 HPGDS (0.61) HPGDSUSP30MAP4K4CCNE1CDK2

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 984/4885USP30 4416/4885MAP4K4 1602/4885

“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.