SCHEMBL12113563

SCHEMBL12113563

CC(C)Cn1c2ncnc3c(ncn3CC(C)C)c-2nc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.42
▸ ADORA1 P30542 4/20 0.42
▸ ADORA2B P29275 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ FDPS P14324 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.37
▸ AHCY P23526 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ P2RY1 P47900 1/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL12113560 0.92 ADORA2A (0.38) ADORA2AADORA1ADORA2BADORA3CCNE1
SCHEMBL13394059 0.81 CYP3A4 (0.38) ADORA2AADORA1CYP3A4ALDH1A1CYP2D6
SCHEMBL13393953 0.79 CYP3A4 (0.35) ADORA2AADORA1ADORA2BCYP3A4ALDH1A1
SCHEMBL12112259 0.79 ADORA2A (0.54) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL12113559 0.78 ADORA2A (0.52) ADORA2AADORA1ADORA2BCCNE1CDK2
SCHEMBL15214188 0.77 ALDH1A1 (0.38) ADORA2AADORA1ADORA2BCYP3A4ALDH1A1
SCHEMBL15214187 0.77 ALDH1A1 (0.38) ADORA2AADORA1ADORA2BCYP3A4ALDH1A1
SCHEMBL12112260 0.76 ADORA2A (0.54) ADORA2AADORA1ADORA2BALDH1A1TLR7
SCHEMBL15214197 0.74 ADORA2A (0.49) ADORA2AADORA1ADORA2BALDH1A1TLR7
SCHEMBL12112261 0.74 ADORA2A (0.52) ADORA2AADORA1ADORA2BALDH1A1TLR7

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-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof HOSMANE, RAMACHANDRA S. 2011-11-10 — — 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-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE ADORA2A 2862/4885ADORA1 3039/4885ADORA2B 2714/4885

“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.

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