SCHEMBL25161867

SCHEMBL25161867

Cc1cnc(C(=O)Nc2cc(-c3ccc(F)nc3)ccc2N)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 13/20 0.44
▸ HDAC1 Q13547 10/20 0.43
▸ HDAC3 O15379 8/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ DYRK1A Q13627 1/20 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
SCHEMBL25161006 0.84 HDAC2 (0.50) HDAC2HDAC1HDAC3KCNH2
SCHEMBL23517821 0.83 HDAC2 (0.33) HDAC2HDAC1HDAC3DYRK1A
SCHEMBL25161809 0.80 HDAC2 (0.46) HDAC2HDAC1HDAC3KCNH2
SCHEMBL23517747 0.80 SMN1; SMN2 (0.54) HDAC2HDAC1HDAC3KCNH2
SCHEMBL23517831 0.78 HDAC1 (0.53) HDAC2HDAC1HDAC3
SCHEMBL25161862 0.78 HDAC2 (0.46) HDAC2HDAC1HDAC3KCNH2
SCHEMBL23517907 0.77 HDAC2 (0.46) HDAC2HDAC1HDAC3KCNH2
SCHEMBL25161246 0.77 HDAC2 (0.57) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4578520 0.77 HDAC2 (0.55) HDAC2HDAC1HDAC3
SCHEMBL15397952 0.76 HDAC1 (0.57) HDAC2HDAC1HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119479-A1 A HISTONE DEACETYLASE INHIBITOR HAVING A NITROGEN-CONTAINING AROMATIC HETEROCYCLYL GROUP SHIONOGI & CO., LTD. (JP) 2023-04-20 — — 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 (1 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-20230119479-A1 A HISTONE DEACETYLASE INHIBITOR HAVING A NITROGEN-CONTAINING AROMATIC HETEROCYCLYL GROUP HDAC2, HDAC1, HDAC11 HDAC2 1/4885HDAC1 2/4885HDAC3 5/4885

“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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