SCHEMBL984358

SCHEMBL984358

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KMO O15229 2/20 0.39
ELANE P08246 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PRKAB2 O43741 4/20 0.36
PRKAG1 P54619 4/20 0.36
PRKAA2 P54646 4/20 0.36
PRKAA1 Q13131 4/20 0.36
PRKAG3 Q9UGI9 4/20 0.36
PRKAG2 Q9UGJ0 4/20 0.36
PRKAB1 Q9Y478 4/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PARP15 Q460N3 1/20 0.35

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
SCHEMBL981956 0.93 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKMO
SCHEMBL981064 0.89 JAK3 (0.46) JAK2JAK3
SCHEMBL983691 0.89 KDM4C (0.46) KMOJAK2JAK3PRKAB2PRKAG1
SCHEMBL981880 0.87 KMO (0.39) PDE4APDE4BPDE4CPDE4DKMO
SCHEMBL986385 0.87 BRD4 (0.43) KMOKDM2BKDM4CBRD4KDM4A
SCHEMBL986109 0.85 HTR4 (0.40) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL982719 0.85 HTR4 (0.40) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL981816 0.85 HTR4 (0.50) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL986107 0.85 BTK (0.43) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL985165 0.85 BTK (0.43) PDE4APDE4BPDE4CPDE4DKDM1A

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 3 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

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.