SCHEMBL4402885

SCHEMBL4402885

CSCCn1c(CCc2cccnc2)nc2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.46
ADORA2A P29274 6/20 0.44
ADORA1 P30542 6/20 0.44
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 3/20 0.43
MAPK1 P28482 1/20 0.41
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
ADORA3 P0DMS8 3/20 0.39
ADORA2B P29275 3/20 0.39
TLR7 Q9NYK1 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
HSPA5 P11021 1/20 0.39
ERBB2 P04626 1/20 0.38
PDPK1 O15530 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
SCHEMBL986515 0.87 FBP1 (0.49) FBP1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL985294 0.86 ADORA2A (0.51) FBP1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL986513 0.86 FBP1 (0.48) FBP1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL986317 0.86 FBP1 (0.48) FBP1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL27772515 0.84 ADORA2A (0.46) FBP1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL4402903 0.82 SLC28A2 (0.47) FBP1ADORA2AADORA1MAPK1HSPA5
SCHEMBL4407310 0.77 CCNA2 (0.41) FBP1ADORA2AADORA1MAPK1PI4KA
SCHEMBL16487432 0.70 HSP90B1 (0.63) HSP90AA1HSP90AB1
SCHEMBL16486933 0.69 HSP90B1 (0.65) HSP90AA1HSP90AB1ERBB2
SCHEMBL15089829 0.69 TMIGD3 (0.43) ADORA2AADORA1MAPK1ADORA2B

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 FBP1 3601/4885ADORA2A 1843/4885ADORA1 789/4885

“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.