SCHEMBL9898121

SCHEMBL9898121

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
BTK Q06187 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PAK1 Q13153 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
NPY5R Q15761 1/20 0.33
TBK1 Q9UHD2 2/20 0.33
HPGD P15428 1/20 0.33
IRAK4 Q9NWZ3 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 0.94 TBK1 (0.37) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9896746 0.93 LMNA (0.37) BTKLMNAPOLBMAPK1L3MBTL1
SCHEMBL9897192 0.93 EPHX2 (0.39) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9895486 0.93 TBK1 (0.39) BTKLMNAPOLBMAPK1L3MBTL1
SCHEMBL9899102 0.92 L3MBTL1 (0.34) BTKLMNAPOLBMAPK1L3MBTL1
SCHEMBL9897593 0.92 BCHE (0.35) BTKLMNAPOLBMAPK1L3MBTL1
SCHEMBL9894959 0.91 LMNA (0.37) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9897502 0.91 KDM2B (0.39) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9897768 0.91 TBK1 (0.34) BTKLMNAPOLBMAPK1L3MBTL1
SCHEMBL9898126 0.91 PKM (0.40) POLBPAK1

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 KDM2B 326/4885KDM4C 161/4885BTK 1798/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM2B 325/4885KDM4C 134/4885BTK 2609/4885

“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.