SCHEMBL9897296

SCHEMBL9897296

CCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(OC)c(F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
PIK3CD O00329 6/20 0.38
PIK3CA P42336 3/20 0.38
PIK3R1 P27986 1/20 0.36
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPY5R Q15761 1/20 0.35
HSD17B10 Q99714 1/20 0.34
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
KDM5A P29375 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL9898649 0.97 EPHX2 (0.38) EPHX2PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL1439089 0.96 PIK3CD (0.41) EPHX2PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL9896332 0.95 CCNT1 (0.37) EPHX2PIK3CDPIK3CALMNAPOLB
SCHEMBL9895829 0.94 BTK (0.34) EPHX2PIK3CDPIK3CALMNAPOLB
SCHEMBL9899081 0.93 CDK9 (0.36) LMNAPOLBMAPK1L3MBTL1HSD17B10
SCHEMBL9896452 0.93 MAPK1 (0.35) PIK3CDPIK3CALMNAPOLBMAPK1
SCHEMBL1439136 0.93 PIK3CD (0.41) EPHX2PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL9898068 0.93 L3MBTL1 (0.44) LMNAPOLBMAPK1L3MBTL1HSD17B10
SCHEMBL9897410 0.93 EPHX2 (0.38) EPHX2PIK3CDPIK3CAPIK3R1LMNA
SCHEMBL9895503 0.92 CCNT1 (0.37) EPHX2PIK3CDPIK3CALMNAPOLB

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 EPHX2 1093/4885PIK3CD 888/4885PIK3CA 691/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885PIK3CD 1051/4885PIK3CA 818/4885

“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.