SCHEMBL10094289

SCHEMBL10094289

CC(C)c1cccnc1N1CCCC1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ NUDT1 P36639 2/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ CXCR4 P61073 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ACVR1 Q04771 3/20 0.37
▸ KDM5A P29375 1/20 0.36

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
SCHEMBL10094281 0.84 MEN1 (0.38) PIK3C3MEN1KMT2AHDAC8HDAC6
SCHEMBL10094266 0.79 PDE10A (0.48) PIK3C3MEN1KMT2AALDH1A1MAPT
SCHEMBL10094268 0.77 HDAC8 (0.43) MEN1KMT2AHDAC8HDAC6ALDH1A1
SCHEMBL10094267 0.75 GRM4 (0.41) PIK3C3MEN1KMT2A
SCHEMBL12643789 0.74 CXCR4 (0.42) PIK3C3HDAC8HDAC6RIPK1CXCR4
SCHEMBL14213448 0.74 CXCR4 (0.42) PIK3C3HDAC8HDAC6RIPK1CXCR4
SCHEMBL2603271 0.74 CXCR4 (0.42) PIK3C3HDAC8HDAC6RIPK1CXCR4
SCHEMBL10094294 0.72 TLR7 (0.41) —
SCHEMBL884681 0.72 KCNA5 (0.44) MEN1KMT2AHDAC8HDAC6NUDT1
SCHEMBL3182932 0.71 CHRNB2 (0.56) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 PIK3C3 4188/4885MEN1 2152/4885KMT2A 278/4885

“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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