SCHEMBL9897192

SCHEMBL9897192

CCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.39
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PAK1 Q13153 2/20 0.36
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL9895186 0.95 TBK1 (0.37) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9898121 0.93 KDM2B (0.36) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9896573 0.93 EPHX2 (0.40) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9897502 0.93 KDM2B (0.39) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9894959 0.93 LMNA (0.37) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9897963 0.92 MEN1 (0.40) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896996 0.92 EPHX2 (0.37) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896078 0.92 EPHX2 (0.42) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9897284 0.90 EPHX2 (0.42) EPHX2PAK1RBP4TTR
SCHEMBL1439316 0.90 EPHX2 (0.37) 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 1093/4885KDM2B 326/4885KDM4C 161/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885KDM2B 325/4885KDM4C 134/4885

“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.