SCHEMBL6029352

SCHEMBL6029352

CC(S)N(C)CCn1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.59
▸ ADORA1 P30542 6/20 0.59
▸ ADORA2B P29275 2/20 0.59
▸ ADCY5 O95622 1/20 0.56
▸ PI4KA P42356 3/20 0.55
▸ PI4K2B Q8TCG2 3/20 0.55
▸ PI4K2A Q9BTU6 3/20 0.55
▸ PI4KB Q9UBF8 3/20 0.55
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NSD3 Q9BZ95 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ AHCY P23526 2/20 0.48

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
SCHEMBL6029046 0.87 ADORA2A (0.63) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL6029347 0.81 ADCY5 (0.65) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL9204975 0.80 ADORA2A (0.64) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL4811419 0.79 ADORA2A (0.72) ADORA2AADORA1ADORA2BADCY5PI4KA
Hydrochloric Acid SCHEMBL10339774 0.78 ADORA2A (0.62) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL11222112 0.78 ADORA2A (0.80) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL14355770 0.78 ADCY5 (0.57) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL19841 0.77 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL6029039 0.77 ADORA2A (0.69) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL2638103 0.77 ADORA2A (0.73) ADORA2AADORA1ADORA2BADCY5PI4KA

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
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 — — EP disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 — — US disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 — — 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A ADORA2A 4653/4885ADORA1 3267/4885ADORA2B 4756/4885

“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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