SCHEMBL9898574

SCHEMBL9898574

CCc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(C)=O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CD38 P28907 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
KIT P10721 2/20 0.34
HPGDS O60760 1/20 0.34
PAK1 Q13153 1/20 0.34
BRD4 O60885 2/20 0.34
PDE5A O76074 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHEK2 O96017 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 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
SCHEMBL16224048 0.94 POLB (0.39) POLBLMNAMAPK1L3MBTL1KIT
SCHEMBL9896573 0.93 EPHX2 (0.40) POLBLMNAMAPK1L3MBTL1KIT
SCHEMBL9894959 0.93 LMNA (0.37) POLBLMNAMAPK1L3MBTL1CD38
SCHEMBL9896507 0.92 LMNA (0.38) POLBLMNAMAPK1L3MBTL1TBK1
SCHEMBL9896943 0.92 RIPK2 (0.36) POLBLMNAMAPK1L3MBTL1HPGDS
SCHEMBL9896746 0.91 LMNA (0.37) POLBLMNAMAPK1L3MBTL1TBK1
SCHEMBL9896309 0.91 POLB (0.37) POLBLMNAMAPK1L3MBTL1TBK1
SCHEMBL9898370 0.91 HPGDS (0.44) POLBLMNAMAPK1L3MBTL1TBK1
SCHEMBL9896648 0.91 CYP4F2 (0.36) BRD4PDE5AHDAC1HDAC6
SCHEMBL9897807 0.91 CYP4F2 (0.36) BRD4PDE5AHDAC1HDAC6

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 POLB 594/4885LMNA 3627/4885MAPK1 2358/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A POLB 1780/4885LMNA 3477/4885MAPK1 2415/4885

“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.