SCHEMBL20973101

SCHEMBL20973101

CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(C)(=O)=O)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA4 P22748 3/20 0.40
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ TMIGD3 P0DMS9 1/20 0.36
▸ MAPK8 P45983 7/20 0.36
▸ MAPK9 P45984 6/20 0.36
▸ MAPK10 P53779 5/20 0.36
▸ PRKD3 O94806 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ PRKD2 Q9BZL6 2/20 0.36
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35

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
SCHEMBL19575661 0.93 CA2 (0.48) CA1CA2CA9CA4HDAC1
SCHEMBL19575495 0.93 CA1 (0.40) CA1CA2CA9CA4HDAC1
SCHEMBL20973100 0.92 CA1 (0.39) CA1CA2CA9CA4HDAC1
SCHEMBL20975239 0.89 HDAC1 (0.43) HDAC1HDAC6ADORA2AADORA1TMIGD3
SCHEMBL20974973 0.89 HDAC1 (0.38) CA1CA2CA9CA4HDAC1
SCHEMBL24228118 0.85 KDM4E (0.34) CA1CA2CA9CA4HDAC1
SCHEMBL26229054 0.84 CTSL (0.41) ADORA2AADORA1TMIGD3
SCHEMBL20972947 0.83 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20975405 0.83 HDAC1 (0.32) CA1CA2CA9CA4HDAC1
SCHEMBL19575499 0.83 CCNE1 (0.40) HDAC1HDAC6ADORA2AADORA1TMIGD3

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 CA1 4385/4885CA2 959/4885CA9 3381/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 CA1 4385/4885CA2 959/4885CA9 3381/4885

“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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