SCHEMBL10284439

SCHEMBL10284439

CCc1nc2cc(F)c(F)c(F)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ADORA1 P30542 5/20 0.41
▸ ADORA3 P0DMS8 5/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ DDAH1 O94760 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.37
▸ IDO1 P14902 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TGFBR1 P36897 1/20 0.30
▸ AR P10275 1/20 0.30

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
SCHEMBL13544182 0.79 DDAH1 (0.44) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL13544178 0.79 GAA (0.42) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL15381374 0.76 PARP1 (0.39) GAAADORA1ADORA3ADORA2ATNKS2
SCHEMBL12264335 0.74 GAA (0.62) GAAHTTDDAH1TNKS2IDO1
SCHEMBL27203429 0.72 AR (0.32) AR
SCHEMBL29770337 0.72 AR (0.32) AR
SCHEMBL12263999 0.71 DDAH1 (0.53) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL10248250 0.71 L3MBTL1 (0.36) ADORA1ADORA3ADORA2ASMN1; SMN2AR
SCHEMBL22210595 0.70 GAA (0.41) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL4363225 0.69 ADORA1 (0.54) GAAHTTADORA1ADORA3ADORA2A

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-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 — — 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 (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-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 GAA 2247/4885HTT 2852/4885ADORA1 186/4885

“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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