SCHEMBL20975095

SCHEMBL20975095

COc1cccc(CNS(=O)(=O)c2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.51
▸ NAMPT P43490 2/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PDE8A O60658 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHKB Q9Y259 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 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

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
SCHEMBL19575382 0.91 HDAC1 (0.43) CHKAYTHDC1HDAC3HDAC4HDAC1
SCHEMBL20975096 0.90 NAMPT (0.42) CHKANAMPTPPARDHDAC3HDAC4
SCHEMBL19575686 0.89 CHKA (0.41) CHKANAMPTYTHDC1HDAC3HDAC4
SCHEMBL19575400 0.89 HDAC1 (0.40) NAMPTPDE8AMEN1KMT2APOLB
SCHEMBL20972919 0.88 NAMPT (0.44) CHKANAMPTPPARDMEN1KMT2A
SCHEMBL20974552 0.87 HDAC1 (0.39) KMT2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL19575752 0.87 HDAC1 (0.39) NAMPTPOLBHDAC3HDAC4HDAC1
SCHEMBL20974951 0.86 HDAC1 (0.40) CHKAPDE8AHDAC3HDAC4HDAC1
SCHEMBL19574996 0.85 HDAC1 (0.44) CHKAYTHDC1PDE8AHDAC3HDAC4
SCHEMBL20972941 0.85 HDAC1 (0.40) CHKANAMPTALDH1A1HDAC3HDAC4

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 395/4885NAMPT 252/4885YTHDC1 2334/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 CHKA 395/4885NAMPT 252/4885YTHDC1 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.

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