SCHEMBL1440109

SCHEMBL1440109

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCC(NC(=O)O)CC4)c(C)[nH]c23)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PDE4B Q07343 3/20 0.33
PDE4D Q08499 2/20 0.33
RIPK2 O43353 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
LRRK2 Q5S007 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
SCN9A Q15858 4/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
MAPK14 Q16539 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL9897736 1.00 FFAR4 (0.34) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL1440104 1.00 FFAR4 (0.34) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL9896252 0.97 FFAR4 (0.34) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL9896256 0.97 FFAR4 (0.34) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL9896326 0.97 FFAR4 (0.34) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL9897203 0.94 LRRK2 (0.38) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL9898636 0.94 LRRK2 (0.38) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL9897206 0.94 LRRK2 (0.38) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL9896408 0.94 GRIN1 (0.35) FFAR4HTR2AHTR2CHTR2BPDE4B
SCHEMBL9896410 0.94 GRIN1 (0.35) FFAR4HTR2AHTR2CHTR2BPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US claimed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US claimed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US claimed
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
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO 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 2796/4885HTR2A 2043/4885HTR2C 1115/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A FFAR4 2235/4885HTR2A 3746/4885HTR2C 2569/4885

“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.