SCHEMBL12236480

SCHEMBL12236480

Cc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PIK3CD O00329 2/20 0.47
▸ ADRB2 P07550 1/20 0.46
▸ BCL9 O00512 2/20 0.46
▸ CTNNB1 P35222 2/20 0.46
▸ TEAD1 P28347 1/20 0.45
▸ HSD11B1 P28845 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ CSF1R P07333 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ DDR1 Q08345 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL12236474 0.89 GPR119 (0.48) MAPK7GAAPIK3CDADRB2BCL9
SCHEMBL12236481 0.87 MGLL (0.46) PIK3CDMEN1KMT2AMGLLGPR119
SCHEMBL12236423 0.86 GPR119 (0.47) MAPK7GAATDP1PIK3CDADRB2
SCHEMBL12236551 0.80 GPR119 (0.46) GPR119
SCHEMBL13272803 0.79 GPR119 (0.48) PIK3CDGPR119
SCHEMBL12236475 0.78 RBP4 (0.56) PIK3CDGPR119
SCHEMBL12236476 0.77 GPR119 (0.48) MEN1KMT2AGPR119
SCHEMBL3806775 0.77 PIK3CD (0.44) MAPK7PIK3CDKCNH2GPR119
SCHEMBL3806780 0.77 PIK3CD (0.44) MAPK7PIK3CDKCNH2GPR119
SCHEMBL12236463 0.77 GPR119 (0.59) PIK3CDGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382204-B1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES MERCK SHARP & DOHME (US) 2018-07-11 — — EP disclosed
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 — — US disclosed
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 — — US disclosed
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES SCHERING CORPORATION (US) 2011-10-27 — — US disclosed
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES SCHERING CORPORATION (US) 2011-10-27 — — 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-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES GPR119, GCGR, GPR65 MAPK7 1318/4885GAA 1930/4885TDP1 1746/4885

“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.

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