SCHEMBL3520300

SCHEMBL3520300

Nc1ncnc2c1nc(Br)n2C1CCN(C(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.68
▸ ADORA1 P30542 10/20 0.68
▸ ADORA2B P29275 8/20 0.68
▸ ADORA3 P0DMS8 6/20 0.68
▸ NADK O95544 1/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ FBP1 P09467 2/20 0.43
▸ RAPGEF3 O95398 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3517750 0.83 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5732373 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3NADK
SCHEMBL31061415 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3NADK
SCHEMBL31061173 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3NADK
SCHEMBL3520232 0.79 ADORA2A (0.70) ADORA2AADORA1ADORA2BADORA3NADK
SCHEMBL3515942 0.78 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3520158 0.76 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3AHCY
SCHEMBL3533190 0.76 HSP90AA1 (0.63) —
SCHEMBL19209529 0.74 TLR7 (0.41) JAK2JAK3JAK1
SCHEMBL20875026 0.73 JAK2 (0.76) JAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 — — US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 — — EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 — — WO 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR ADORA2A 2396/4885ADORA1 2673/4885ADORA2B 2823/4885

“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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