SCHEMBL10171819

SCHEMBL10171819

CCc1cnc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N6CCC(O)CC6)cc5F)ncnc43)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
LRRK2 Q5S007 3/20 0.41
KMT2A Q03164 3/20 0.39
WDR5 P61964 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TYRO3 Q06418 4/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 5/20 0.37
AXL P30530 2/20 0.37
FLT3 P36888 2/20 0.37
MERTK Q12866 2/20 0.37
JAK1 P23458 1/20 0.36

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
SCHEMBL356718 0.96 GPR119 (0.44) GPR119LRRK2KMT2AWDR5CYP3A4
SCHEMBL355772 0.96 GPR119 (0.44) GPR119LRRK2KMT2AWDR5CYP3A4
SCHEMBL355773 0.96 GPR119 (0.44) GPR119LRRK2KMT2AWDR5CYP3A4
SCHEMBL10172683 0.94 GPR119 (0.45) GPR119LRRK2KMT2ACYP3A4CYP2C9
SCHEMBL10172167 0.94 GPR119 (0.44) GPR119LRRK2KMT2ACYP3A4CYP2C9
SCHEMBL10171913 0.94 GPR119 (0.44) GPR119LRRK2KMT2ACYP3A4CYP2C9
SCHEMBL10172162 0.92 GPR119 (0.43) GPR119CYP3A4CYP2C9
SCHEMBL10172633 0.92 GPR119 (0.43) GPR119CYP3A4CYP2C9
SCHEMBL10171822 0.90 GPR119 (0.42) GPR119LRRK2KMT2AWDR5CYP3A4
SCHEMBL10172690 0.90 GPR119 (0.42) GPR119LRRK2KMT2AWDR5CYP3A4

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 2 patents. 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
WO-2010084944-A1 NOVEL PYRROLO[2,3-d]PYRIMIDINE COMPOUND 田辺三菱製薬株式会社 (JP) 2010-07-29 WO 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 1/4885LRRK2 2211/4885KMT2A 2953/4885

“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.