SCHEMBL21672428

SCHEMBL21672428

CC(C)(C)c1cc2[nH]ccc2nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ MAOB P27338 3/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ APP P05067 1/20 0.31
▸ PIK3CD O00329 1/20 0.30

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
SCHEMBL21672437 0.82 BRD4 (0.38) CYP3A4ALDH1A1KCNH2SCN10ABRD4
SCHEMBL13604903 0.81 CYP3A4 (0.33) CYP3A4KCNH2SCN10ABRD4APP
SCHEMBL22792806 0.77 APP (0.32) AHRCMA1CYP3A4SCN10AAPP
SCHEMBL25613025 0.74 FEN1 (0.37) AHRCMA1F7LTA4HF3
SCHEMBL22732074 0.73 CSNK2A1 (0.47) AHRCMA1F7LTA4HF3
SCHEMBL31748733 0.73 GPR84 (0.48) AHRCMA1F7LTA4HF3
SCHEMBL25954385 0.72 SMN1; SMN2 (0.39) AHRCMA1F7LTA4HF3
SCHEMBL17563335 0.72 GRM1 (0.38) AHRCMA1F7LTA4HF3
SCHEMBL8957459 0.71 CSNK2A1 (0.50) AHRCMA1F7LTA4HF3
SCHEMBL8957480 0.70 GPR84 (0.48) AHRCMA1F7LTA4HF3

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-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 — — 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-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 AHR 508/4885CMA1 3799/4885F7 4862/4885

“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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