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SCHEMBL4460464

SCHEMBL4460464

CSc1cccc(N(c2ccc(Cl)nc2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP2A6 P11509 1/20 0.37
▸ KCNA5 P22460 6/20 0.35
▸ KCND3 Q9UK17 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32

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
SCHEMBL4457228 0.91 CYP2D6 (0.39) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL4458988 0.89 CYP2A6 (0.39) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL4469168 0.89 KCNA5 (0.40) KCNA5MAPTL3MBTL1SLC6A2SLC6A4
SCHEMBL4453037 0.85 KCNA5 (0.40) KCNA5MAPTSLC6A2SLC6A4SMN1; SMN2
SCHEMBL4454560 0.85 SLC6A2 (0.41) KCNA5SLC6A2SLC6A4SMN1; SMN2
SCHEMBL4461686 0.85 CYP2A6 (0.46) MEN1KMT2ACYP2C19CYP2A6KCNA5
SCHEMBL4464233 0.84 KCNA5 (0.35) KCNA5CYP19A1SLC6A2SLC6A4
SCHEMBL4460607 0.83 KCNA5 (0.39) KCNA5KCND3L3MBTL1SLC6A2SLC6A4
SCHEMBL4461909 0.80 TAAR1 (0.39) CYP2C19CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL4468111 0.75 PTGS2 (0.43) CYP2C19CYP2A6ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 — — US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 — — EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 — — WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 — — US disclosed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 — — US disclosed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 — — US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 — — EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 — — WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 — — WO 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 MEN1 1188/4885KMT2A 130/4885CYP1A2 1544/4885

“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.