SCHEMBL4404463

SCHEMBL4404463

CSCCn1cnc2c(N)nc(NCc3cccnc3)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.61
ADORA1 P30542 5/20 0.61
TMIGD3 P0DMS9 4/20 0.61
ADORA2B P29275 3/20 0.53
CDK2 P24941 8/20 0.45
CDK9 P50750 5/20 0.45
ADORA3 P0DMS8 1/20 0.45
MKNK2 Q9HBH9 1/20 0.43
CDK1 P06493 7/20 0.41
CDK4 P11802 5/20 0.41
MAPK1 P28482 5/20 0.41
CDK7 P50613 5/20 0.41
CCNE1 P24864 4/20 0.41
CCNH P51946 4/20 0.41
CCNB1 P14635 3/20 0.41
CCND1 P24385 3/20 0.41
CCNT1 O60563 2/20 0.41
MNAT1 P51948 1/20 0.41
CDK6 Q00534 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL4404469 0.87 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL987753 0.87 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL986640 0.86 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL987752 0.86 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL27751686 0.84 ADORA2A (0.57) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL987009 0.74 ADORA2A (0.64) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL5162419 0.73 ADORA2A (0.82) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL986631 0.73 ADORA2A (0.63) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL987008 0.73 ADORA2A (0.63) ADORA2AADORA1TMIGD3ADORA2BCDK2
SCHEMBL4402903 0.73 SLC28A2 (0.47) ADORA2AADORA1MAPK1

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-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 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-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 ADORA2A 1843/4885ADORA1 789/4885TMIGD3 1915/4885

“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.