SCHEMBL3298747

SCHEMBL3298747

O=C(Nc1ccc(F)c(F)c1)N1CCc2nc(NCc3ccccc3F)n(-c3ccccc3)c(=O)c2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
NAMPT P43490 1/20 0.38
PDE10A Q9Y233 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
CACNA1H O95180 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PRLHR P49683 1/20 0.36

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
SCHEMBL3296928 0.92 CLPP (0.43) CLPPNAMPTPDE10ACACNA1HPRLHR
SCHEMBL3304674 0.91 PTGDR2 (0.43) NAMPTPDE10APTGDR2MAPTKDM4E
SCHEMBL3295196 0.90 PRLHR (0.43) CLPPNAMPTPDE10APTGDR2PRLHR
SCHEMBL3303961 0.90 PDE10A (0.41) NAMPTPDE10A
SCHEMBL3299611 0.89 PDE10A (0.45) PDE10APTGDR2MAPTCACNA1HRXFP1
SCHEMBL3296703 0.89 PRLHR (0.49) CLPPMAPTCACNA1HPRLHR
SCHEMBL3297401 0.88 CLPP (0.41) CLPPNAMPTPDE10APTGDR2PRLHR
SCHEMBL3302814 0.88 PRLHR (0.43) CLPPNAMPTPRLHR
SCHEMBL3297719 0.88 PDE10A (0.39) PDE10A
SCHEMBL3298470 0.88 NAMPT (0.44) NAMPTPDE10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232282-B2 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2078719-A1 COMPOUND HAVING BICYCLIC PYRIMIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-07-15 EP 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-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same GART, MGAT2, MGAT1 CLPP 4670/4885BCHE 2858/4885ACHE 3549/4885

“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.