SCHEMBL986222

SCHEMBL986222

COc1cc(-c2ncnc3c(C(=O)NN4CCCCC4)c[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
CNR1 P21554 1/20 0.37
SCN9A Q15858 9/20 0.36
FFAR4 Q5NUL3 1/20 0.35
WDR5 P61964 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SCN5A Q14524 3/20 0.34
LRRK2 Q5S007 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
Hydrochloric Acid SCHEMBL985232 0.99 CNR2 (0.40) CNR2CNR1SCN9AFFAR4WDR5
Hydrochloric Acid SCHEMBL985106 0.96 CNR2 (0.40) CNR2CNR1SCN9AFFAR4WDR5
Hydrochloric Acid SCHEMBL984193 0.88 CNR2 (0.40) CNR2CNR1SCN9AWDR5SCN5A
SCHEMBL984647 0.87 CNR2 (0.44) CNR2CNR1SCN9AWDR5
SCHEMBL985434 0.87 CNR2 (0.43) CNR2CNR1
SCHEMBL981819 0.87 CNR2 (0.43) CNR2CNR1
Hydrochloric Acid SCHEMBL986114 0.86 CNR2 (0.43) CNR2CNR1SCN9AWDR5
Hydrochloric Acid SCHEMBL985799 0.86 CNR2 (0.42) CNR2CNR1WDR5LRRK2
SCHEMBL983554 0.85 KDM4C (0.39) SCN9AFFAR4WDR5HTR2AHTR2C
SCHEMBL981513 0.85 CNR2 (0.46) CNR2CNR1

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 2115/4885SCN9A 893/4885

“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.