SCHEMBL19574920

SCHEMBL19574920

CCC[C@@H](NC(=O)OCCCCn1cnc2c(N)ncnc21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.49
▸ ADCY5 O95622 4/20 0.48
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ NSD3 Q9BZ95 1/20 0.42
▸ PDE3A Q14432 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL26212177 1.00 ADORA2A (0.49) ADORA2AADCY5ADORA2BADORA1LMNA
SCHEMBL19575371 0.89 TMIGD3 (0.41) ADORA2AADORA2BADORA1LMNASMN1; SMN2
SCHEMBL26212223 0.89 TMIGD3 (0.41) ADORA2AADORA2BADORA1LMNASMN1; SMN2
SCHEMBL19575403 0.87 ADCY5 (0.51) ADORA2AADCY5ADORA1LMNASMN1; SMN2
SCHEMBL20972815 0.87 ADCY5 (0.51) ADORA2AADCY5ADORA1LMNASMN1; SMN2
SCHEMBL19575639 0.87 HDAC1 (0.42) ADORA2AADORA2BADORA1
SCHEMBL19575642 0.87 SERPINA3 (0.47) ADORA2AADORA2BADORA1LMNASMN1; SMN2
SCHEMBL26212252 0.87 SERPINA3 (0.47) ADORA2AADORA2BADORA1LMNASMN1; SMN2
SCHEMBL26212539 0.87 HDAC1 (0.42) ADORA2AADORA2BADORA1
SCHEMBL20975164 0.84 HDAC1 (0.43) ADORA2AADORA2BADORA1LMNASMN1; SMN2

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 4 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
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 — — WO 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 ADORA2A 195/4885ADCY5 718/4885ADORA2B 234/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 ADORA2A 195/4885ADCY5 718/4885ADORA2B 234/4885

“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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