SCHEMBL1439010

SCHEMBL1439010

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.38
PIK3CD O00329 8/20 0.36
PIK3CA P42336 5/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
POLB P06746 1/20 0.33
USP30 Q70CQ3 1/20 0.32
BTK Q06187 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL1439034 0.97 KDM5A (0.38) KDM5APIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL9898431 0.96 BTK (0.34) KDM5APIK3CDPIK3CAPOLBBTK
SCHEMBL1438609 0.95 KDM5A (0.36) KDM5APIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL1439136 0.94 PIK3CD (0.41) KDM5APIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL9895829 0.93 BTK (0.34) KDM5APIK3CDPIK3CAPOLBBTK
SCHEMBL1439230 0.92 KDM5A (0.36) KDM5APIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL1439184 0.92 KDM5A (0.37) KDM5APIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL1439089 0.92 PIK3CD (0.41) KDM5APIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL9896630 0.91 PIK3CD (0.33) PIK3CDPIK3CAFFAR4
SCHEMBL9896631 0.91 PIK3CD (0.33) PIK3CDPIK3CAFFAR4

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 9 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
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 KDM5A 83/4885PIK3CD 888/4885PIK3CA 691/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM5A 69/4885PIK3CD 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.