SCHEMBL983478

SCHEMBL983478

O=C(O)c1c[nH]c2c(-c3ccccc3OCC3CC3)ncnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
PDE5A O76074 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4A O75164 2/20 0.37
KDM5A P29375 2/20 0.37
FFAR2 O15552 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
IDO1 P14902 1/20 0.35
PDE3B Q13370 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
SCHEMBL985692 0.89 KDM5A (0.44) KMOKDM4AKDM5ARBP4KDM4C
SCHEMBL986385 0.88 BRD4 (0.43) KMOKDM4AKDM5ARBP4KDM4C
SCHEMBL983115 0.87 JAK3 (0.47)
SCHEMBL983691 0.86 KDM4C (0.46) KMOKDM4AKDM5AKDM4C
SCHEMBL981956 0.84 PDE4A (0.38) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL984358 0.84 PDE4A (0.40) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL981880 0.84 KMO (0.39) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL983559 0.84 PTK2 (0.39) MEN1KMT2AMRGPRX1
SCHEMBL3429999 0.83 KDM4E (0.43) KMOPDE4BKDM4AKDM5AKDM4E
SCHEMBL983561 0.83 CNR2 (0.48) FFAR2HTTMRGPRX1IDO1

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
CN-101959890-B Pyrrolopyrimidine carboxamides NYCOMED GMBH 2013-10-30 CN disclosed
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
CN-101959890-A Pyrrolopyrimidine carboxamides NYCOMED GMBH 2011-01-26 CN 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 KMO 1104/4885PDE5A 1/4885PDE4A 6/4885

“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.