SCHEMBL9896788

SCHEMBL9896788

Cc1cc(-c2ncnc3c(C(=O)NC4CCN(C(=O)[C@H](C)O)CC4)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PAK1 Q13153 1/20 0.34
TBK1 Q9UHD2 3/20 0.34
HSD17B10 Q99714 2/20 0.33
RIPK2 O43353 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM5A P29375 1/20 0.32
MAP3K6 O95382 1/20 0.32
MAP3K5 Q99683 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL9897392 0.93 EPHX2 (0.35) EPHX2MAPK1LMNAPOLBL3MBTL1
SCHEMBL9897870 0.92 EPHX2 (0.35) EPHX2MAPK1LMNAPOLBL3MBTL1
SCHEMBL9896763 0.91 MAPK1 (0.36) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9898202 0.91 MAPK1 (0.36) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9896292 0.91 HSD17B10 (0.38) EPHX2MAPK1LMNAPOLBL3MBTL1
SCHEMBL9897410 0.91 EPHX2 (0.38) EPHX2MAPK1LMNAPOLBL3MBTL1
SCHEMBL9895641 0.90 LMNA (0.35) EPHX2MAPK1LMNAPOLBL3MBTL1
SCHEMBL9896501 0.90 ACACB (0.34) POLBPAK1RIPK2ACACB
SCHEMBL9896502 0.90 ACACB (0.34) POLBPAK1RIPK2ACACB
SCHEMBL9897697 0.90 ACACB (0.34) POLBPAK1RIPK2ACACB

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 1093/4885MAPK1 2358/4885LMNA 3627/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885MAPK1 2415/4885LMNA 3477/4885

“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.