SCHEMBL9896176

SCHEMBL9896176

COc1cc(-c2ncnc3c(C(=O)NC4CN(C(=O)O)CCC4O)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.33
PIK3CD O00329 2/20 0.31
SCN9A Q15858 1/20 0.31
CNR1 P21554 2/20 0.31
TRPC6 Q9Y210 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
CNR2 P34972 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL9896180 1.00 FFAR4 (0.33) FFAR4PIK3CDSCN9ACNR1TRPC6
SCHEMBL9897984 0.94 CDK9 (0.33) FFAR4PIK3CDSCN9ACNR1TRPC6
SCHEMBL16224029 0.94 CDK4 (0.35) FFAR4PIK3CDSCN9ACNR1TRPC6
SCHEMBL9897981 0.94 CDK9 (0.33) FFAR4PIK3CDSCN9ACNR1TRPC6
SCHEMBL16224032 0.94 CDK4 (0.35) FFAR4PIK3CDSCN9ACNR1TRPC6
SCHEMBL9897271 0.94 PIK3CD (0.38) FFAR4PIK3CD
SCHEMBL9896668 0.93 CCNT1 (0.34) FFAR4PIK3CDSCN9ACNR1CDK4
SCHEMBL1439213 0.93 PIK3CD (0.33) FFAR4PIK3CDSCN9ACNR1TRPC6
SCHEMBL9896714 0.92 CDK4 (0.33) FFAR4PIK3CDSCN9ACDK4CCND1
SCHEMBL9899931 0.92 CDK4 (0.33) FFAR4PIK3CDSCN9ACDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP 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 (2 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 FFAR4 2796/4885PIK3CD 888/4885SCN9A 2014/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A FFAR4 2235/4885PIK3CD 1051/4885SCN9A 2421/4885

“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.