SCHEMBL19575544

SCHEMBL19575544

Nc1nc(-c2ccco2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.45
▸ PTPN7 P35236 1/20 0.43
▸ ADA P00813 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ADORA2A P29274 7/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ RECQL P46063 2/20 0.40
▸ BLM P54132 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
SCHEMBL19575606 0.90 PTPN7 (0.42) TDP1PTPN7ADAALDH1A1MAPT
SCHEMBL20973065 0.89 TDP1 (0.46) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL19575546 0.88 ALDH1A1 (0.47) TDP1PTPN7ADAALDH1A1MAPT
SCHEMBL19574929 0.87 TDP1 (0.56) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL19575715 0.87 TDP1 (0.45) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL19575537 0.87 TDP1 (0.46) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL19575519 0.86 TDP1 (0.46) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL19553567 0.86 TDP1 (0.49) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL19574921 0.86 TDP1 (0.49) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL19575517 0.85 TDP1 (0.47) TDP1ALDH1A1MAPTPOLBKDM4E

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 7 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
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 1738/4885PTPN7 1643/4885ADA 786/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 TDP1 1738/4885PTPN7 1643/4885ADA 786/4885

“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.

Send feedback