SCHEMBL9897236

SCHEMBL9897236

CCC(=O)N1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4ccc(OC)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
PIK3CD O00329 14/20 0.37
PIK3CA P42336 7/20 0.37
PIK3R1 P27986 6/20 0.37
BTK Q06187 1/20 0.37
TBK1 Q9UHD2 1/20 0.36
PIK3CB P42338 2/20 0.36
KDM5A P29375 2/20 0.35
LCK P06239 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL16553379 1.00 EPHX2 (0.37) EPHX2PIK3CDPIK3CAPIK3R1BTK
SCHEMBL9895357 0.96 EPHX2 (0.42) EPHX2BTKTBK1LCK
SCHEMBL9897834 0.95 TBK1 (0.41) BTKTBK1KDM5A
SCHEMBL9897983 0.94 TBK1 (0.37) PIK3CDPIK3CABTKTBK1KDM5A
SCHEMBL9897743 0.94 PIK3CD (0.38) EPHX2PIK3CDPIK3CAPIK3R1BTK
SCHEMBL16223930 0.94 KDM5A (0.36) BTKTBK1KDM5A
SCHEMBL9895692 0.94 HPGDS (0.39) BTKTBK1KDM5A
SCHEMBL9898291 0.91 PIK3CD (0.38) EPHX2PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL9895988 0.91 KDM5A (0.37) TBK1KDM5A
SCHEMBL9897342 0.91 TBK1 (0.43) EPHX2TBK1

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.