SCHEMBL9898041

SCHEMBL9898041

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 1/20 0.39
CHEK2 O96017 1/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
STS P08842 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL9895498 0.96 USP30 (0.42) ALDH1A1PARP1MEN1KMT2ASLC2A1
SCHEMBL9896880 0.94 KMT2A (0.42) ALDH1A1PARP1MEN1KMT2ASLC2A1
SCHEMBL9896609 0.92 HSD17B10 (0.41) PARP1MEN1KMT2ALMNATHRB
SCHEMBL16224085 0.91 PAK1 (0.35) ALDH1A1KMT2ALMNAMAPTNPSR1
SCHEMBL9897140 0.91 HPGDS (0.44) ALDH1A1KMT2ACHEK2LMNAMAPT
SCHEMBL16224202 0.91 PAK1 (0.37) ALDH1A1KMT2ALMNAMAPTL3MBTL1
SCHEMBL9898317 0.90 MEN1 (0.42) ALDH1A1PARP1MEN1KMT2ASLC2A1
SCHEMBL9895357 0.90 EPHX2 (0.42) ALDH1A1KMT2ALMNAMAPTL3MBTL1
SCHEMBL9107145 0.90 SLC2A1 (0.41) ALDH1A1PARP1MEN1KMT2ASLC2A1
SCHEMBL9897342 0.89 TBK1 (0.43) ALDH1A1KMT2ALMNAMAPTL3MBTL1

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 ALDH1A1 863/4885PARP1 255/4885MEN1 1982/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A ALDH1A1 776/4885PARP1 630/4885MEN1 2901/4885

“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.