SCHEMBL20973065

SCHEMBL20973065

Nc1nc(-c2ccccc2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP19 O94966 1/20 0.42
▸ HPGD P15428 5/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ FAAH O00519 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GLA P06280 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
SCHEMBL19575537 0.93 TDP1 (0.46) TDP1ALDH1A1HTTHPGDHSD17B10
SCHEMBL19575715 0.90 TDP1 (0.45) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL19574929 0.89 TDP1 (0.56) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL19575544 0.89 TDP1 (0.45) TDP1ALDH1A1HTTKMT2AHPGD
SCHEMBL19575519 0.88 TDP1 (0.46) TDP1ALDH1A1HTTHPGDHSD17B10
SCHEMBL19574921 0.88 TDP1 (0.49) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL19553567 0.88 TDP1 (0.49) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL19575517 0.87 TDP1 (0.47) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL20946433 0.86 TDP1 (0.48) TDP1ALDH1A1HTTKMT2AHPGD
SCHEMBL19555217 0.86 TDP1 (0.49) TDP1ALDH1A1HTTHPGDHSD17B10

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 TDP1 1738/4885ALDH1A1 3196/4885HTT 4658/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 TDP1 1738/4885ALDH1A1 3196/4885HTT 4658/4885

“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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