SCHEMBL9898291

SCHEMBL9898291

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.38
PIK3R1 P27986 9/20 0.38
RBP4 P02753 2/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CA P42336 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
EPHX2 P34913 2/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
NPY5R Q15761 1/20 0.35
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
TTR P02766 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
SCHEMBL9897496 0.95 EPHX2 (0.40) RBP4HSD17B10MEN1KMT2AKDM5A
SCHEMBL9898158 0.95 RBP4 (0.39) PIK3CDPIK3R1RBP4HSD17B10MEN1
SCHEMBL9896142 0.95 RBP4 (0.37) RBP4HSD17B10MEN1KMT2AKDM5A
SCHEMBL9897144 0.94 RBP4 (0.38) PIK3CDPIK3R1RBP4HSD17B10MEN1
SCHEMBL9897942 0.93 HSD17B10 (0.38) RBP4HSD17B10MEN1KMT2AKDM5A
SCHEMBL9897783 0.93 OPRL1 (0.41) RBP4HSD17B10MEN1KMT2AKDM5A
SCHEMBL9897236 0.91 EPHX2 (0.37) PIK3CDPIK3R1PIK3CAKDM5AEPHX2
SCHEMBL16553379 0.91 EPHX2 (0.37) PIK3CDPIK3R1PIK3CAKDM5AEPHX2
SCHEMBL9896243 0.91 RBP4 (0.36) PIK3CDPIK3R1RBP4KDM5AKDM4C
SCHEMBL9896244 0.91 RBP4 (0.36) PIK3CDPIK3R1RBP4KDM5AKDM4C

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 888/4885PIK3R1 2369/4885RBP4 3017/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PIK3CD 1051/4885PIK3R1 2243/4885RBP4 2168/4885

“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.