SCHEMBL4407310

SCHEMBL4407310

CSCCn1c(Nc2cccnc2)nc2c(N)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CDK5R1 Q15078 2/20 0.41
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CHKA P35790 1/20 0.39
ADORA2A P29274 11/20 0.39
ADORA1 P30542 11/20 0.39
ADORA2B P29275 7/20 0.39
ADORA3 P0DMS8 6/20 0.39
FBP1 P09467 1/20 0.39
HSPA5 P11021 1/20 0.39
SLC28A2 O43868 1/20 0.38
TMIGD3 P0DMS9 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL987270 0.87 PI4KA (0.43) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL987269 0.86 PI4KA (0.44) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL985566 0.86 PI4KA (0.42) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL985660 0.86 ADORA2A (0.51) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL4402903 0.84 SLC28A2 (0.47) ADORA2AADORA1FBP1HSPA5SLC28A2
SCHEMBL27772455 0.84 PI4KA (0.43) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL982883 0.81 HSPA5 (0.40) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL4402885 0.77 FBP1 (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL15089829 0.71 TMIGD3 (0.43) CCNA2CDK2CDK5CDK5R1ADORA2A
SCHEMBL4025801 0.70 FBP1 (0.48) PI4KAPI4K2BPI4K2API4KBADORA2A

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 CCNA2 2064/4885CDK2 3092/4885CCNA1 1896/4885

“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.