SCHEMBL10172153

SCHEMBL10172153

CC(C)(C)OC(=O)N1CCC(n2cc(F)c3c(Nc4ccc(C#N)cc4F)ncnc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.69
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
IRAK4 Q9NWZ3 1/20 0.49
MKNK1 Q9BUB5 2/20 0.46
EGFR P00533 1/20 0.43
SRC P12931 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
SCHEMBL10172627 0.89 GPR119 (0.54) GPR119CYP3A4CYP2C9
SCHEMBL13548263 0.88 GPR119 (0.69) GPR119CYP3A4CYP2C9IRAK4
SCHEMBL10169330 0.88 GPR119 (0.73) GPR119CYP3A4CYP2C9IRAK4
SCHEMBL356179 0.86 CYP3A4 (0.56) GPR119CYP3A4CYP2C9MKNK1EGFR
SCHEMBL10172673 0.86 CYP3A4 (0.56) GPR119CYP3A4CYP2C9MKNK1EGFR
SCHEMBL10139782 0.84 GPR119 (0.57) GPR119CYP3A4CYP2C9IRAK4EGFR
SCHEMBL10171842 0.84 CYP3A4 (0.56) GPR119CYP3A4CYP2C9MKNK1EGFR
SCHEMBL13971405 0.84 GPR119 (0.76) GPR119CYP3A4CYP2C9IRAK4
SCHEMBL356564 0.84 GPR119 (0.54) GPR119CYP3A4CYP2C9MKNK1EGFR
SCHEMBL10172675 0.83 CYP3A4 (0.48) GPR119CYP3A4CYP2C9MKNK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 GPR119 1/4885CYP3A4 2136/4885CYP2C9 1147/4885

“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.