SCHEMBL9896334

SCHEMBL9896334

COc1ccc(-c2ncnc3c(C(=O)N[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4O)c(C)[nH]c23)c(OCC2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ADAM17 P78536 1/20 0.35
BACE1 P56817 1/20 0.35
CNR1 P21554 1/20 0.34
SLC2A1 P11166 1/20 0.34
BTK Q06187 1/20 0.34
CHEK2 O96017 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
SCN9A Q15858 1/20 0.33
RET P07949 1/20 0.33
PDE4B Q07343 1/20 0.33
EPHX2 P34913 1/20 0.33
STS P08842 1/20 0.33

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
SCHEMBL9896162 0.92 DGAT2 (0.42) DGAT2ADAM17BACE1SCN9A
SCHEMBL16224055 0.91 CNR1 (0.36) CNR1BTKTBK1RETPDE4B
SCHEMBL9896626 0.91 CNR1 (0.36) CNR1CHEK2TBK1PDE4B
SCHEMBL16224058 0.91 CNR1 (0.36) CNR1BTKTBK1RETPDE4B
SCHEMBL9896624 0.91 CNR1 (0.36) CNR1CHEK2TBK1PDE4B
SCHEMBL9896616 0.90 CNR1 (0.36) CNR1BTKTBK1PDE4BEPHX2
SCHEMBL9896615 0.90 CNR1 (0.36) CNR1BTKTBK1PDE4BEPHX2
SCHEMBL9897796 0.90 TBK1 (0.38) CNR1BTKTBK1PDE4B
SCHEMBL9897795 0.90 TBK1 (0.38) CNR1BTKTBK1PDE4B
SCHEMBL9897948 0.90 MEN1 (0.39) CNR1SLC2A1BTKCHEK2MEN1

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-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A AXL 4460/4885MERTK 4022/4885DGAT2 4409/4885

“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.