SCHEMBL21392440

SCHEMBL21392440

CCn1c(=O)[nH]c2ncnc(C(C)(C)C)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.43
ADORA2A P29274 7/20 0.43
PDE4B Q07343 7/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
CDK1 P06493 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
ADORA2B P29275 3/20 0.35
BRD4 O60885 3/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL1003179 0.80 PDE4A (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL19632376 0.80 PDE4A (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL25457796 0.69 CDK1 (0.36) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL10812168 0.66 PDE4A (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL26925735 0.66 CYP3A4 (0.66) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL30013079 0.65 ADORA2A (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL25457076 0.64 CDK1 (0.36) ADORA2ACYP3A4CDK1MAPTTLR7
SCHEMBL30012191 0.63 GRIN1 (0.35) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9844553 0.63 PDE4A (0.56) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL1003427 0.63 PARN (0.48) CYP3A4BRD4MEN1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292189-A1 LIM KINASE INHIBITORS VIRONGY, LLC 2019-09-26 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-20190292189-A1 LIM KINASE INHIBITORS LIMK1, LIMK2, LIMA1 PDE4A 1477/4885ADORA2A 4797/4885PDE4B 1745/4885

“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.