SCHEMBL985434

SCHEMBL985434

COc1ccc(-c2ncnc3c(C(=O)NN4CCCCC4)c[nH]c23)c(OCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.43
CNR1 P21554 3/20 0.39
PKM P14618 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PLAU P00749 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL981819 0.94 CNR2 (0.43) CNR2CNR1PKMPARP15PARP10
SCHEMBL984647 0.90 CNR2 (0.44) CNR2CNR1
SCHEMBL981881 0.90 CNR1 (0.39) CNR2CNR1PKMLMNAPOLB
Hydrochloric Acid SCHEMBL986114 0.89 CNR2 (0.43) CNR2CNR1
SCHEMBL983561 0.87 CNR2 (0.48) CNR2CNR1LMNAPOLB
SCHEMBL986222 0.87 CNR2 (0.40) CNR2CNR1
Hydrochloric Acid SCHEMBL985106 0.86 CNR2 (0.40) CNR2CNR1
Hydrochloric Acid SCHEMBL985232 0.86 CNR2 (0.40) CNR2CNR1
SCHEMBL981513 0.85 CNR2 (0.46) CNR2CNR1KDM4E
SCHEMBL981956 0.85 PDE4A (0.38) PARP15PARP10PDE4APDE4BPDE4C

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 2 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 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 CNR2 1647/4885CNR1 2115/4885PKM 1729/4885

“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.