SCHEMBL19553523

SCHEMBL19553523

Nc1ncnc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ ADCY5 O95622 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40

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
SCHEMBL19574929 0.89 TDP1 (0.56) TDP1SMN1; SMN2ADORA2AALDH1A1HTT
SCHEMBL26224084 0.88 SMN1; SMN2 (0.47) TDP1SMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL19575373 0.88 TDP1 (0.47) TDP1SMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL19553567 0.88 TDP1 (0.49) TDP1SMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL19574921 0.88 TDP1 (0.49) TDP1SMN1; SMN2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL19555217 0.86 TDP1 (0.49) TDP1SMN1; SMN2ADORA2AALDH1A1HTT
SCHEMBL20946433 0.86 TDP1 (0.48) TDP1SMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL19554935 0.86 TDP1 (0.49) TDP1SMN1; SMN2ADORA2AALDH1A1HTT
SCHEMBL20973065 0.85 TDP1 (0.46) TDP1SMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL19575537 0.84 TDP1 (0.46) TDP1SMN1; SMN2ALDH1A1HTTNPC1

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 9 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
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-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
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 — — US disclosed
EP-3452477-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2019-03-13 — — EP disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 — — WO 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 TDP1 1738/4885ADCY5 718/4885SMN1; SMN2 2198/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 TDP1 1738/4885ADCY5 718/4885SMN1; SMN2 2198/4885

“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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