SCHEMBL9896525

SCHEMBL9896525

Cc1cc(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](NC(=O)CO)CC4)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.34
CRHR1 P34998 1/20 0.33
SCN9A Q15858 11/20 0.33
POLB P06746 1/20 0.32
SMO Q99835 1/20 0.32
MAPK14 Q16539 1/20 0.32
AR P10275 2/20 0.32
PAK1 Q13153 1/20 0.31
NSD2 O96028 1/20 0.31
SETD2 Q9BYW2 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL9896526 1.00 RIPK2 (0.34) RIPK2CRHR1SCN9APOLBSMO
SCHEMBL9898624 1.00 RIPK2 (0.34) RIPK2CRHR1SCN9APOLBSMO
SCHEMBL9895883 0.94 RIPK2 (0.34) RIPK2CRHR1SCN9APOLBAR
SCHEMBL9895885 0.94 RIPK2 (0.34) RIPK2CRHR1SCN9APOLBAR
SCHEMBL9896505 0.94 RIPK2 (0.34) RIPK2CRHR1SCN9APOLBAR
SCHEMBL9896432 0.93 RIPK2 (0.35) RIPK2CRHR1SCN9APOLBAR
SCHEMBL9896953 0.93 RIPK2 (0.35) RIPK2CRHR1SCN9APOLBAR
SCHEMBL9896430 0.93 RIPK2 (0.35) RIPK2CRHR1SCN9APOLBAR
SCHEMBL9896920 0.92 SMO (0.35) RIPK2CRHR1SCN9APOLBSMO
SCHEMBL9896916 0.92 SMO (0.35) RIPK2CRHR1SCN9APOLBSMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US 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 RIPK2 3633/4885CRHR1 3405/4885SCN9A 2014/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RIPK2 2831/4885CRHR1 3977/4885SCN9A 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.