SCHEMBL10172167

SCHEMBL10172167

CCc1cnc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N6C[C@H](O)[C@@H](O)C6)cc5F)ncnc43)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.44
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ERBB2 P04626 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TYRO3 Q06418 2/20 0.35
LRRK2 Q5S007 1/20 0.34
PTK6 Q13882 3/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
MERTK Q12866 1/20 0.34

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
SCHEMBL10171913 1.00 GPR119 (0.44) GPR119CYP3A4CYP2C9ERBB2MEN1
SCHEMBL10172683 0.96 GPR119 (0.45) GPR119CYP3A4CYP2C9ERBB2MEN1
SCHEMBL10171884 0.94 GPR119 (0.51) GPR119CYP3A4CYP2C9ERBB2MEN1
SCHEMBL10172704 0.94 GPR119 (0.51) GPR119CYP3A4CYP2C9ERBB2MEN1
SCHEMBL355772 0.94 GPR119 (0.44) GPR119CYP3A4CYP2C9ERBB2MEN1
SCHEMBL356718 0.94 GPR119 (0.44) GPR119CYP3A4CYP2C9ERBB2MEN1
SCHEMBL355773 0.94 GPR119 (0.44) GPR119CYP3A4CYP2C9ERBB2MEN1
SCHEMBL10171819 0.94 GPR119 (0.45) GPR119CYP3A4CYP2C9MEN1KMT2A
SCHEMBL10172162 0.92 GPR119 (0.43) GPR119CYP3A4CYP2C9ERBB2
SCHEMBL10172633 0.92 GPR119 (0.43) GPR119CYP3A4CYP2C9ERBB2

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.