SCHEMBL9897948

SCHEMBL9897948

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BTK Q06187 1/20 0.38
STS P08842 1/20 0.36
RET P07949 4/20 0.36
SLC2A1 P11166 1/20 0.36
CHEK2 O96017 2/20 0.36
SCN9A Q15858 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
CNR1 P21554 1/20 0.35
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ABL2 P42684 1/20 0.35
PDE4B Q07343 1/20 0.35
EPHX2 P34913 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
SCHEMBL9897737 0.92 CCNT1 (0.39) BTKRETSCN9ACDK4CCND1
SCHEMBL9898317 0.91 MEN1 (0.42) MEN1KMT2ASTSSLC2A1CHEK2
SCHEMBL9897611 0.91 CNR1 (0.37) KMT2ARETCHEK2CNR1PDE4B
SCHEMBL16223970 0.91 CNR1 (0.37) KMT2ARETCNR1PDE4B
SCHEMBL16223971 0.91 CNR1 (0.37) KMT2ARETCNR1PDE4B
SCHEMBL9897612 0.91 CNR1 (0.37) KMT2ARETCHEK2CNR1PDE4B
SCHEMBL9896596 0.91 CNR1 (0.37) KMT2ARETCNR1PDE4BEPHX2
SCHEMBL9896598 0.91 CNR1 (0.37) KMT2ARETCNR1PDE4BEPHX2
SCHEMBL9895727 0.90 TBK1 (0.40) RETCDK4CCND1CCND3CDK6
SCHEMBL9895728 0.90 TBK1 (0.40) RETCDK4CCND1CCND3CDK6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
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 MEN1 1982/4885KMT2A 1329/4885BTK 1798/4885

“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.