SCHEMBL3706777

SCHEMBL3706777

COc1nc(N)ccc1-c1ccc(=O)n(C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
ADORA2A P29274 10/20 0.42
ADORA1 P30542 10/20 0.42
ADORA2B P29275 4/20 0.42
ADORA3 P0DMS8 3/20 0.41
BRD9 Q9H8M2 2/20 0.40
BRD7 Q9NPI1 2/20 0.40
DYRK1A Q13627 1/20 0.39
CREBBP Q92793 2/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL3702267 0.74 LRRK2 (0.42) BRD4PDE10A
SCHEMBL3707400 0.69 BTK (0.34)
SCHEMBL19484607 0.67 CREBBP (0.65) BRD4ADORA2AADORA1ADORA2BADORA3
SCHEMBL30756343 0.67 KEAP1 (0.42) ADORA2A
SCHEMBL25430654 0.67 BRD4 (0.42) BRD4ADORA2AADORA1DYRK1ACREBBP
SCHEMBL15784006 0.66 ATR (0.47) BRD4ADORA2AADORA1ADORA2BADORA3
SCHEMBL25258561 0.66 BRD4 (0.49) BRD4ADORA2AADORA1ADORA2BDYRK1A
SCHEMBL3702232 0.65 DYRK1A (0.50) ADORA2BDYRK1A
SCHEMBL30880494 0.65 BRD4 (0.64) BRD4ADORA2AADORA1ADORA2BCREBBP
SCHEMBL31359456 0.65 BRD4 (0.41) BRD4ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 BRD4 3621/4885ADORA2A 1739/4885ADORA1 473/4885

“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.