SCHEMBL20975063

SCHEMBL20975063

CN1CCCN(C(=O)OCCCCn2cnc3c(N)ncnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 5/20 0.50
▸ ADORA2A P29274 4/20 0.49
▸ ADORA1 P30542 2/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ SLC22A6 Q4U2R8 2/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ TRPM2 O94759 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NSD3 Q9BZ95 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ POLA1 P09884 1/20 0.43
▸ POLG P54098 1/20 0.43
▸ FAP Q12884 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL20974519 0.94 ADCY5 (0.56) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL20975226 0.89 ADCY5 (0.53) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL20973525 0.85 ADCY5 (0.49) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL20972737 0.85 ADORA2A (0.60) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL19574926 0.84 ADCY5 (0.53) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL19574925 0.83 ADCY5 (0.50) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL19574927 0.81 ADCY5 (0.51) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL20973331 0.81 ADCY5 (0.48) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL20972819 0.81 ADORA2A (0.53) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL20973636 0.80 ADCY5 (0.52) ADCY5ADORA2AADORA1ADORA2BSLC22A6

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-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 — — US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 — — 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 (2 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 ADCY5 718/4885ADORA2A 195/4885ADORA1 148/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 ADCY5 718/4885ADORA2A 195/4885ADORA1 148/4885

“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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