SCHEMBL20975139

SCHEMBL20975139

COc1ccc([C@@H](C)NC(=O)OCCCCn2cnc3c(N)ncnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NSD3 Q9BZ95 7/20 0.57
▸ ADCY5 O95622 4/20 0.48
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PDE3A Q14432 2/20 0.46
▸ ADORA2A P29274 2/20 0.45
▸ NSD2 O96028 6/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL20973538 0.91 LMNA (0.53) NSD3ADCY5LMNASMN1; SMN2PDE3A
SCHEMBL19575394 0.90 NSD3 (0.53) NSD3ADCY5LMNASMN1; SMN2PDE3A
SCHEMBL20974516 0.90 NSD3 (0.53) NSD3ADCY5LMNASMN1; SMN2PDE3A
SCHEMBL19575471 0.90 NSD3 (0.53) NSD3ADCY5LMNASMN1; SMN2PDE3A
SCHEMBL20972815 0.90 ADCY5 (0.51) NSD3ADCY5LMNASMN1; SMN2ADORA2A
SCHEMBL19575403 0.90 ADCY5 (0.51) NSD3ADCY5LMNASMN1; SMN2ADORA2A
SCHEMBL19575404 0.86 AHCY (0.39) NSD3
SCHEMBL19575389 0.85 ADCY5 (0.45) NSD3ADCY5LMNASMN1; SMN2PDE3A
SCHEMBL19575472 0.83 ADCY5 (0.46) NSD3ADCY5LMNASMN1; SMN2PDE3A
SCHEMBL26212056 0.83 ADCY5 (0.46) NSD3ADCY5LMNASMN1; SMN2PDE3A

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 NSD3 942/4885ADCY5 718/4885LMNA 873/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 NSD3 942/4885ADCY5 718/4885LMNA 873/4885

“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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