SCHEMBL981819

SCHEMBL981819

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
CNR1 P21554 2/20 0.39
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ELANE P08246 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 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
SCHEMBL985434 0.94 CNR2 (0.43) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL981513 0.90 CNR2 (0.46) CNR2CNR1BRD4KMT2AKDM4E
Hydrochloric Acid SCHEMBL985799 0.88 CNR2 (0.42) CNR2CNR1BRD4
SCHEMBL983561 0.87 CNR2 (0.48) CNR2CNR1LMNAPOLB
SCHEMBL986222 0.87 CNR2 (0.40) CNR2CNR1
Hydrochloric Acid SCHEMBL985232 0.86 CNR2 (0.40) CNR2CNR1
Hydrochloric Acid SCHEMBL985106 0.86 CNR2 (0.40) CNR2CNR1
SCHEMBL984358 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DELANE
SCHEMBL984647 0.85 CNR2 (0.44) CNR2CNR1BRD4
Hydrochloric Acid SCHEMBL986114 0.84 CNR2 (0.43) CNR2CNR1BRD4

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 2115/4885PDE4A 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.