SCHEMBL981956

SCHEMBL981956

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMO O15229 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
ELANE P08246 1/20 0.36
PRKAB2 O43741 5/20 0.36
PRKAG1 P54619 5/20 0.36
PRKAA2 P54646 5/20 0.36
PRKAA1 Q13131 5/20 0.36
PRKAG3 Q9UGI9 5/20 0.36

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
SCHEMBL984358 0.93 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPARP15
SCHEMBL3429999 0.92 KDM4E (0.43) PDE4BPARP15PARP10SMN1; SMN2KMO
SCHEMBL983134 0.89 JAK3 (0.46) KDM4EJAK2JAK3
SCHEMBL985692 0.87 KDM5A (0.44) KMOKDM5AKDM4CKDM4A
SCHEMBL984107 0.85 HTR4 (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL985431 0.85 HTR4 (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL982867 0.85 HTR4 (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL983938 0.85 PRKAB2 (0.42) SMN1; SMN2KDM4EMEN1POLBKMT2A
SCHEMBL985434 0.85 CNR2 (0.43) PDE4APDE4BPDE4CPDE4DPARP15
SCHEMBL984589 0.85 BTK (0.43) KDM4E

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-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US 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 (1 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 PDE4A 6/4885PDE4B 7/4885PDE4C 9/4885

“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.