SCHEMBL9897595

SCHEMBL9897595

COc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)CO)CC4)c(C)[nH]c23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.43
KMT2A Q03164 2/20 0.39
PAK1 Q13153 1/20 0.36
HPGDS O60760 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL1438678 0.96 TBK1 (0.41) TBK1KMT2APAK1HPGDSLMNA
SCHEMBL9895486 0.95 TBK1 (0.39) TBK1KMT2APAK1HPGDSLMNA
SCHEMBL9896078 0.95 EPHX2 (0.42) TBK1KMT2APAK1HPGDSLMNA
SCHEMBL9897342 0.94 TBK1 (0.43) TBK1KMT2APAK1HPGDSLMNA
SCHEMBL9896055 0.93 KMT2A (0.41) TBK1KMT2APAK1HPGDSLMNA
SCHEMBL9898370 0.93 HPGDS (0.44) TBK1KMT2APAK1HPGDSLMNA
SCHEMBL9895186 0.92 TBK1 (0.37) TBK1PAK1LMNAHSD17B10CCNT1
SCHEMBL9896507 0.91 LMNA (0.38) TBK1PAK1LMNAEPHX2CCNT1
SCHEMBL9898313 0.91 TBK1 (0.37) TBK1KMT2APAK1HPGDSLMNA
SCHEMBL9897743 0.91 PIK3CD (0.38) TBK1KMT2AEPHX2

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 TBK1 3747/4885KMT2A 1329/4885PAK1 1904/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A TBK1 3270/4885KMT2A 1454/4885PAK1 1610/4885

“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.