SCHEMBL9896983

SCHEMBL9896983

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4O)c(C)[nH]c23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
USP30 Q70CQ3 1/20 0.36
BTK Q06187 1/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
PIK3CD O00329 3/20 0.33
GPR119 Q8TDV5 4/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDE4B Q07343 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
TBK1 Q9UHD2 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
SCHEMBL9895674 0.97 SCN9A (0.42) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9896636 0.92 SCN9A (0.42) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9898482 0.92 SCN9A (0.40) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9895982 0.91 CDK4 (0.35) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL16224199 0.91 CDK4 (0.35) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL9897153 0.91 CDK4 (0.35) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL16224196 0.91 CDK4 (0.35) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL9898445 0.91 PIK3CD (0.38) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL9898443 0.91 PIK3CD (0.38) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL9897661 0.90 CDK4 (0.37) CDK4CCND1CCND3CDK6CCNT1

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 SCN9A 2014/4885CDK4 289/4885CCND1 1137/4885

“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.