SCHEMBL12113559

SCHEMBL12113559

CCCn1cnc2c3nc(=O)n(CC)c-3ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.52
▸ ADORA1 P30542 6/20 0.52
▸ ADORA2B P29275 3/20 0.52
▸ HTR2C P28335 1/20 0.45
▸ TMIGD3 P0DMS9 3/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PDE4A P27815 5/20 0.39
▸ PDE4B Q07343 5/20 0.39
▸ PDE4C Q08493 5/20 0.39
▸ PDE4D Q08499 5/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39

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
SCHEMBL12112259 0.93 ADORA2A (0.54) ADORA2AADORA1ADORA2BHTR2CTMIGD3
SCHEMBL12112260 0.87 ADORA2A (0.54) ADORA2AADORA1ADORA2BHTR2CTMIGD3
SCHEMBL12112262 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA2BHTR2CTMIGD3
SCHEMBL15214197 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA2BHTR2CTMIGD3
SCHEMBL12112265 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA2BHTR2CTMIGD3
SCHEMBL12112261 0.85 ADORA2A (0.52) ADORA2AADORA1ADORA2BHTR2CTMIGD3
SCHEMBL15214199 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA2BHTR2CTMIGD3
SCHEMBL12112263 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA2BHTR2CTMIGD3
SCHEMBL12113561 0.79 GSK3B (0.40) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12113563 0.78 ADORA2A (0.42) ADORA2AADORA1ADORA2BCYP1A2PI4KA

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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