SCHEMBL20974975

SCHEMBL20974975

Nc1ccc(-c2cccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.43
▸ CTSL P07711 10/20 0.43
▸ PADI3 Q9ULW8 1/20 0.41
▸ PADI4 Q9UM07 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ TARS1 P26639 1/20 0.40
▸ YTHDC1 Q96MU7 3/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC9 Q9UKV0 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39

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
SCHEMBL20974433 0.95 PADI3 (0.47) CHKACTSLPADI3PADI4CTSB
SCHEMBL19575483 0.94 CHKA (0.43) CHKACTSLPADI3PADI4CTSB
SCHEMBL19575538 0.93 CHKA (0.42) CHKACTSLPADI3PADI4CTSB
SCHEMBL20975224 0.92 CTSL (0.47) CHKACTSLCTSBYTHDC1
SCHEMBL26218276 0.90 CTSL (0.43) CHKACTSLCTSBTARS1HDAC1
SCHEMBL20974863 0.90 YTHDC1 (0.46) CHKACTSLCTSBYTHDC1
SCHEMBL20975222 0.90 CTSL (0.48) CHKACTSLPADI3PADI4CTSB
SCHEMBL19575672 0.89 CHKA (0.46) CHKACTSLYTHDC1HDAC1HDAC3
SCHEMBL19574919 0.89 HDAC1 (0.46) CHKAYTHDC1HDAC1HDAC3HDAC4
SCHEMBL20975145 0.89 CTSL (0.48) CHKACTSLPADI3PADI4CTSB

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 CHKA 395/4885CTSL 4183/4885PADI3 1045/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 CHKA 395/4885CTSL 4183/4885PADI3 1045/4885

“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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