SCHEMBL986726

SCHEMBL986726

CC(=O)c1ccc(OCC2CC2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SLC6A9 P48067 1/20 0.44
CREBBP Q92793 1/20 0.43
CNR2 P34972 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL15541722 0.88 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL15968144 0.87 DPP4 (0.48) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL1871388 0.86 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL16335660 0.82 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL3377412 0.82 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL20463312 0.82 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL20463367 0.82 SLC6A9 (0.53) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL831072 0.81 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DSLC6A9
SCHEMBL18374360 0.81 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL7323001 0.80 PARP15 (0.46) PDE4BPDE4APDE4CPDE4DPARP15

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 11 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-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO 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 (3 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A PDE4B 7/4885PDE4A 6/4885PDE4C 9/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A PDE4B 7/4885PDE4A 3/4885PDE4C 9/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PDE4B 5/4885PDE4A 3/4885PDE4C 8/4885

“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.