SCHEMBL20975224

SCHEMBL20975224

N#Cc1ccc(-c2cccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 18/20 0.47
▸ CTSB P07858 5/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.43
▸ CHKA P35790 1/20 0.41

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
SCHEMBL20974863 0.95 YTHDC1 (0.46) CTSLCTSBYTHDC1CHKA
SCHEMBL19575525 0.92 YTHDC1 (0.51) CTSLCTSBYTHDC1CHKA
SCHEMBL20974975 0.92 CHKA (0.43) CTSLCTSBYTHDC1CHKA
SCHEMBL20974433 0.92 PADI3 (0.47) CTSLCTSBYTHDC1CHKA
SCHEMBL19575538 0.89 CHKA (0.42) CTSLCTSBYTHDC1CHKA
SCHEMBL19575483 0.89 CHKA (0.43) CTSLCTSBYTHDC1CHKA
SCHEMBL19575570 0.89 CTSL (0.42) CTSLCTSB
SCHEMBL20972934 0.88 CTSL (0.47) CTSLCTSBCHKA
SCHEMBL20975222 0.86 CTSL (0.48) CTSLCTSBYTHDC1CHKA
SCHEMBL19575672 0.86 CHKA (0.46) CTSLYTHDC1CHKA

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 CTSL 4183/4885CTSB 4090/4885YTHDC1 2334/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 CTSL 4183/4885CTSB 4090/4885YTHDC1 2334/4885

“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