SCHEMBL9898482

SCHEMBL9898482

Cc1cc(-c2ncnc3c(C(=O)N[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4O)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
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 0.37
BTK Q06187 1/20 0.35
PIK3CD O00329 4/20 0.34
GPR119 Q8TDV5 6/20 0.34
DGAT2 Q96PD7 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
CYP2C9 P11712 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 0.94 SCN9A (0.42) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9896983 0.92 SCN9A (0.41) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9896776 0.91 CDK4 (0.39) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9897314 0.91 CDK4 (0.35) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9896968 0.91 CDK4 (0.35) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9897312 0.91 CDK4 (0.35) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9896973 0.91 CDK4 (0.35) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL9897737 0.91 CCNT1 (0.39) SCN9ACDK4CCND1CCND3CDK6
SCHEMBL1440937 0.91 CDK4 (0.33) CDK4CCND1CCND3CDK6PIK3CD
SCHEMBL1441845 0.91 CDK4 (0.33) CDK4CCND1CCND3CDK6PIK3CD

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 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.