SCHEMBL1439136

SCHEMBL1439136

CCC(=O)N1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.41
PIK3CA P42336 8/20 0.41
PIK3R1 P27986 4/20 0.40
PIK3CB P42338 2/20 0.39
PIK3CG P48736 1/20 0.39
KDM5A P29375 2/20 0.37
EPHX2 P34913 1/20 0.34

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
SCHEMBL1439089 0.97 PIK3CD (0.41) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL9898649 0.96 EPHX2 (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1438609 0.95 KDM5A (0.36) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1439010 0.94 KDM5A (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1439184 0.94 KDM5A (0.37) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL9897296 0.93 EPHX2 (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1439230 0.92 KDM5A (0.36) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1439034 0.92 KDM5A (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1439190 0.91 KDM5A (0.39) PIK3CDPIK3CAPIK3R1KDM5AEPHX2
SCHEMBL9898443 0.91 PIK3CD (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO 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 PIK3CD 888/4885PIK3CA 691/4885PIK3R1 2369/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PIK3CD 1051/4885PIK3CA 818/4885PIK3R1 2243/4885

“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.