SCHEMBL10171802

SCHEMBL10171802

CN(C)C(=O)c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
GPR119 Q8TDV5 8/20 0.48
AURKA O14965 3/20 0.45
CDK2 P24941 3/20 0.45
CCNA2 P20248 2/20 0.43
TTK P33981 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
SRC P12931 5/20 0.42
EGFR P00533 3/20 0.42
ABL1 P00519 2/20 0.41
ABL2 P42684 2/20 0.41
ERBB2 P04626 1/20 0.40

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
SCHEMBL356179 0.93 CYP3A4 (0.56) CYP3A4CYP2C9GPR119MKNK1SRC
SCHEMBL10171992 0.90 GPR119 (0.43) CYP3A4CYP2C9GPR119CDK2ERBB2
SCHEMBL10172602 0.87 CYP3A4 (0.66) CYP3A4CYP2C9GPR119
SCHEMBL355859 0.87 CYP3A4 (0.54) CYP3A4CYP2C9GPR119MKNK1SRC
SCHEMBL10172675 0.85 CYP3A4 (0.48) CYP3A4CYP2C9GPR119MKNK1SRC
SCHEMBL10139804 0.85 SRC (0.43) CYP3A4CYP2C9GPR119SRCEGFR
SCHEMBL356564 0.85 GPR119 (0.54) CYP3A4CYP2C9GPR119MKNK1SRC
SCHEMBL10172673 0.84 CYP3A4 (0.56) CYP3A4CYP2C9GPR119MKNK1SRC
SCHEMBL10172677 0.83 CYP3A4 (0.51) CYP3A4CYP2C9GPR119MKNK1SRC
SCHEMBL355058 0.82 GPR119 (0.48) CYP3A4CYP2C9GPR119ERBB2

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 CYP3A4 2136/4885CYP2C9 1147/4885GPR119 1/4885

“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.