SCHEMBL19574922

SCHEMBL19574922

Nc1ncnc2c1ncn2CCCCOC(=O)NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 4/20 0.50
▸ ADORA2A P29274 5/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ PDE3A Q14432 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ PI4KA P42356 1/20 0.46
▸ PI4K2B Q8TCG2 1/20 0.46
▸ PI4K2A Q9BTU6 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ AHCY P23526 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ ADORA1 P30542 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
SCHEMBL19575388 0.94 ADORA2A (0.56) ADCY5ADORA2ACA1CA2CA4
SCHEMBL19575387 0.89 NSD3 (0.55) ADCY5ADORA2ACA1CA2CA4
SCHEMBL19574919 0.86 HDAC1 (0.46) ADORA2AADORA1
SCHEMBL19575662 0.83 ADCY5 (0.50) ADCY5ADORA2APDE3AEGFRLMNA
SCHEMBL19575663 0.83 ADCY5 (0.50) ADCY5ADORA2APDE3AEGFRPI4KA
SCHEMBL19575470 0.83 ADCY5 (0.52) ADCY5ADORA2APDE3AEGFRLMNA
SCHEMBL19575467 0.82 ADCY5 (0.51) ADCY5ADORA2APDE3AEGFRLMNA
SCHEMBL19575530 0.82 NSD3 (0.50) ADCY5ADORA2APDE3API4KAPI4K2B
SCHEMBL19575531 0.82 LMNA (0.50) ADCY5ADORA2APDE3AEGFRLMNA
SCHEMBL19553523 0.81 TDP1 (0.47) ADCY5ADORA2ACA1CA2CA4

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 ADCY5 718/4885ADORA2A 195/4885CA1 4385/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 ADCY5 718/4885ADORA2A 195/4885CA1 4385/4885

“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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