SCHEMBL1366828

SCHEMBL1366828

c1ccc(Cn2cc(-c3ccccc3CCN(c3cccnc3)c3cccnc3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
CREBBP Q92793 12/20 0.41
PDK2 Q15119 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BRD4 O60885 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3623417 0.85 PDK2 (0.42) L3MBTL1PDK2MAPK1ALDH1A1
SCHEMBL4974371 0.78 KCNA5 (0.50) L3MBTL1PDK2ALDH1A1MKNK1MKNK2
SCHEMBL4975470 0.77 KCNA5 (0.51) L3MBTL1ALDH1A1
SCHEMBL2063286 0.76 KCNA5 (0.64) L3MBTL1CREBBPPDK2MAPK1
SCHEMBL1368851 0.75 L3MBTL1 (0.55) L3MBTL1CREBBPPDK2MAPK1ALDH1A1
SCHEMBL5043791 0.74 L3MBTL1 (0.50) L3MBTL1CREBBPPDK2MAPK1ALDH1A1
SCHEMBL4979371 0.73 HTR2A (0.44) MAPK1
SCHEMBL4980305 0.70 KCNA5 (0.39) MAPK1
SCHEMBL4784136 0.70 L3MBTL1 (0.60) L3MBTL1CREBBPPDK2MAPK1ADORA2A
SCHEMBL10094644 0.68 CREBBP (0.69) L3MBTL1CREBBPPDK2ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 L3MBTL1 1720/4885CREBBP 4399/4885PDK2 565/4885

“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.