SCHEMBL162535

SCHEMBL162535

CCn1cc2c(O)nc(S)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.36
▸ ADORA2A P29274 5/20 0.36
▸ ADORA1 P30542 5/20 0.36
▸ ADORA2B P29275 2/20 0.35
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL164570 0.69 ADORA3 (0.36) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL25746214 0.67 ABL1 (0.35) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL31714631 0.66 ADORA2A (0.49) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL174858 0.66 XDH (0.41) ADORA3ADORA2AADORA1HTTSMN1; SMN2
SCHEMBL23399524 0.64 — —
SCHEMBL29586047 0.63 COMT (0.35) ADORA3ADORA2AADORA1ADORA2BHTT
SCHEMBL18359323 0.62 TP53 (0.33) ADORA3HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20155687 0.61 ATM (0.36) ADORA3ADORA2AADORA1ADORA2BHTT
SCHEMBL18083200 0.61 L3MBTL1 (0.47) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL20155691 0.60 NPC1 (0.40) HTTSMN1; SMN2ALDH1A1KDM4ENPC1

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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 — — US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 — — EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 — — 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 ADORA3 1302/4885ADORA2A 1933/4885ADORA1 3035/4885

“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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