SCHEMBL13870064

SCHEMBL13870064

CSCCCn1cnc2c(N)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.71
▸ ADORA1 P30542 5/20 0.66
▸ ADORA2B P29275 1/20 0.66
▸ PI4KA P42356 2/20 0.60
▸ PI4K2B Q8TCG2 2/20 0.60
▸ PI4K2A Q9BTU6 2/20 0.60
▸ PI4KB Q9UBF8 2/20 0.60
▸ ADCY5 O95622 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NSD3 Q9BZ95 1/20 0.53
▸ AHCY P23526 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ TSHR P16473 1/20 0.52

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
SCHEMBL14086581 0.96 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13870051 0.91 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL15471274 0.85 ADORA2A (0.66) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1074972 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL8252223 0.82 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13870063 0.82 ADCY5 (0.61) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.82 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4551803 0.82 ADORA2A (0.91) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638945 0.81 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL67131 0.81 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 — — US disclosed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 — — EP disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 — — US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — 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-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 ADORA2A 4741/4885ADORA1 4768/4885ADORA2B 4601/4885

“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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