SCHEMBL12110468

SCHEMBL12110468

CCOC(=O)c1cn([C@H](CO)C(C)C)c2nc(OC)c(NCc3ccc(C)cc3)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PDE9A O76083 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PDE4B Q07343 1/20 0.33

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
SCHEMBL1301348 0.91 METTL3 (0.40) PDE10AADORA3ADORA2AADORA1PDE9A
SCHEMBL1301351 0.91 METTL3 (0.40) PDE10AADORA3ADORA2AADORA1PDE9A
SCHEMBL12110612 0.87 PDE4B (0.42) GAAADORA3ADORA2AADORA2BADORA1
SCHEMBL1300646 0.84 METTL3 (0.44) PDE9AMEN1KMT2APOLBALDH1A1
SCHEMBL1300641 0.84 METTL3 (0.44) PDE9AMEN1KMT2APOLBALDH1A1
SCHEMBL1300294 0.84 METTL3 (0.43) PDE10AGAAPDE9AMEN1KMT2A
SCHEMBL1300784 0.84 METTL3 (0.43) PDE9AMAPTKDM4E
SCHEMBL1300290 0.84 METTL3 (0.43) PDE10AGAAPDE9AMEN1KMT2A
SCHEMBL1300778 0.84 METTL3 (0.43) PDE9AMAPTKDM4E
SCHEMBL12506514 0.84 METTL3 (0.45) PDE10AGAAMEN1KMT2APOLB

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — 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 (2 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP PDE10A 2011/4885GAA 176/4885ADORA3 3974/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP PDE10A 2011/4885GAA 176/4885ADORA3 3974/4885

“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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