SCHEMBL10171972

SCHEMBL10171972

CC(C)c1cnc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N6CC[C@@H](O)C6)cc5F)ncnc43)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
LRRK2 Q5S007 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
CBLB Q13191 1/20 0.37
PDE4B Q07343 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
TYRO3 Q06418 6/20 0.36
MERTK Q12866 3/20 0.36
ERBB2 P04626 1/20 0.36
WDR5 P61964 2/20 0.36
KMT2A Q03164 2/20 0.36
AXL P30530 2/20 0.35
FLT3 P36888 2/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL357985 0.96 ERBB2 (0.39) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL357986 0.96 ERBB2 (0.39) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL10171830 0.92 PDE4B (0.39) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL10171981 0.91 MKNK2 (0.40) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL10172640 0.91 KMT2A (0.38) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL356840 0.91 PDE4B (0.38) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL356839 0.91 PDE4B (0.38) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL356718 0.90 GPR119 (0.44) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL355773 0.90 GPR119 (0.44) GPR119CYP3A4CYP2C9LRRK2MKNK2
SCHEMBL355772 0.90 GPR119 (0.44) GPR119CYP3A4CYP2C9LRRK2MKNK2

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.