SCHEMBL9897410

SCHEMBL9897410

CCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)c(F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPY5R Q15761 1/20 0.36
PAK1 Q13153 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3R1 P27986 1/20 0.34
RIPK2 O43353 1/20 0.33
PIK3CA P42336 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP3K6 O95382 1/20 0.33
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL9895641 0.95 LMNA (0.35) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9897545 0.94 BTK (0.35) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896763 0.93 MAPK1 (0.36) LMNAPOLBMAPK1L3MBTL1NPY5R
SCHEMBL9898202 0.93 MAPK1 (0.36) LMNAPOLBMAPK1L3MBTL1PAK1
SCHEMBL9897296 0.93 EPHX2 (0.38) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9898649 0.91 EPHX2 (0.38) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896788 0.91 EPHX2 (0.35) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9897496 0.90 EPHX2 (0.40) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896450 0.90 USP30 (0.40) LMNAPOLBMAPK1L3MBTL1RIPK2
SCHEMBL9897963 0.90 MEN1 (0.40) EPHX2LMNAPOLBMAPK1L3MBTL1

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 1093/4885LMNA 3627/4885POLB 594/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885LMNA 3477/4885POLB 1780/4885

“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.