SCHEMBL20974516

SCHEMBL20974516

C[C@H](NC(=O)OCCCCn1cnc2c(N)ncnc21)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NSD3 Q9BZ95 2/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ ADCY5 O95622 5/20 0.49
▸ ADORA2A P29274 5/20 0.46
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ PDE3A Q14432 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ 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
SCHEMBL19575471 1.00 NSD3 (0.53) NSD3NSD2ADCY5ADORA2ALMNA
SCHEMBL19575394 1.00 NSD3 (0.53) NSD3NSD2ADCY5ADORA2ALMNA
SCHEMBL20973538 0.92 LMNA (0.53) NSD3ADCY5ADORA2ALMNASMN1; SMN2
SCHEMBL20972815 0.91 ADCY5 (0.51) NSD3ADCY5ADORA2ALMNASMN1; SMN2
SCHEMBL19575403 0.91 ADCY5 (0.51) NSD3ADCY5ADORA2ALMNASMN1; SMN2
SCHEMBL20975139 0.90 NSD3 (0.57) NSD3NSD2ADCY5ADORA2ALMNA
SCHEMBL26212056 0.90 ADCY5 (0.46) NSD3NSD2ADCY5ADORA2ALMNA
SCHEMBL19575472 0.90 ADCY5 (0.46) NSD3NSD2ADCY5ADORA2ALMNA
SCHEMBL26217165 0.89 NSD3 (0.53) NSD3NSD2ADCY5ADORA2ALMNA
SCHEMBL19575466 0.88 CDK1 (0.40) NSD3NSD2ADCY5

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-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 — — EP disclosed
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 942/4885NSD2 1586/4885ADCY5 718/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 NSD3 942/4885NSD2 1586/4885ADCY5 718/4885

“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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