SCHEMBL9897743

SCHEMBL9897743

CCC(=O)N1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4cc(OC)ccc4OCC4CC4)ncnc23)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.38
PIK3CA P42336 5/20 0.38
EPHX2 P34913 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3R1 P27986 6/20 0.37
BTK Q06187 1/20 0.37
TBK1 Q9UHD2 1/20 0.36
KDM5A P29375 2/20 0.35
PIK3CB P42338 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
SCHEMBL9896078 0.96 EPHX2 (0.42) PIK3CDPIK3CAEPHX2KMT2ABTK
SCHEMBL1438678 0.95 TBK1 (0.41) PIK3CDPIK3CAKMT2ABTKTBK1
SCHEMBL9898313 0.94 TBK1 (0.37) PIK3CDPIK3CAKMT2ABTKTBK1
SCHEMBL9897236 0.94 EPHX2 (0.37) PIK3CDPIK3CAEPHX2PIK3R1BTK
SCHEMBL16553379 0.94 EPHX2 (0.37) PIK3CDPIK3CAEPHX2PIK3R1BTK
SCHEMBL16224175 0.94 KMT2A (0.39) KMT2ABTKTBK1KDM5A
SCHEMBL9898155 0.94 HPGDS (0.39) KMT2ABTKTBK1KDM5A
SCHEMBL9896598 0.91 CNR1 (0.37) PIK3CDPIK3CAEPHX2KMT2ATBK1
SCHEMBL9896596 0.91 CNR1 (0.37) PIK3CDPIK3CAEPHX2KMT2ATBK1
SCHEMBL1439051 0.91 KDM5A (0.37) KMT2ATBK1KDM5A

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

“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.