SCHEMBL9896880

SCHEMBL9896880

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 2/20 0.40
STS P08842 1/20 0.40
SLC2A1 P11166 1/20 0.39
CHEK2 O96017 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 2/20 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
TP53 P04637 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
THRB P10828 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
SCHEMBL9898317 0.96 MEN1 (0.42) KMT2AMEN1ALDH1A1PARP1STS
SCHEMBL9898041 0.94 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1PARP1STS
SCHEMBL9897318 0.92 PARP1 (0.41) KMT2AMEN1PARP1MAPTNPSR1
SCHEMBL1438545 0.92 MAPT (0.41) KMT2AMEN1PARP1MAPTNPSR1
SCHEMBL16224171 0.91 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL9895631 0.91 BRD4 (0.42) KMT2AMEN1PARP1MAPTNPSR1
SCHEMBL9896055 0.91 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL9898370 0.91 HPGDS (0.44) KMT2AMEN1ALDH1A1CHEK2MAPT
SCHEMBL9895498 0.90 USP30 (0.42) KMT2AMEN1ALDH1A1PARP1SLC2A1
SCHEMBL9896078 0.90 EPHX2 (0.42) KMT2AALDH1A1MAPTL3MBTL1EPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1329/4885MEN1 1982/4885ALDH1A1 863/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KMT2A 1454/4885MEN1 2901/4885ALDH1A1 776/4885

“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.