SCHEMBL16294040

SCHEMBL16294040

CC(C)NC(=O)c1sc2ncnc(N3CCC(CN(C)C4CCN(C)C4)CC3)c2c1-c1ccccc1.CNC(=O)c1sc2ncnc(N3CCC(CN(C)C4CCN(C)C4)CC3)c2c1-c1ccccc1

nearest known ligand 0.91

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 1/20 0.41
▸ ADRB3 P13945 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL14969469 0.97 GPR55 (0.43) GPR55ADRB3MEN1MAPTHTT
SCHEMBL14964995 0.96 MEN1 (0.43) GPR55MEN1MAPTHTTKMT2A
SCHEMBL16293654 0.82 — —
SCHEMBL17783841 0.81 MEN1 (0.44) ADRB3MEN1KMT2A
SCHEMBL14965482 0.78 — —
SCHEMBL16293345 0.74 — —
SCHEMBL14965120 0.72 ADRB2 (0.40) ADRB3MEN1MAPTHTTKMT2A
SCHEMBL14965464 0.72 TP53 (0.41) GPR55MEN1MAPTKMT2A
SCHEMBL16293975 0.70 POLB (0.61) ADRB3HTTKMT2A
SCHEMBL14965153 0.70 — —

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-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2014-12-18 — — 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-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors KCNA3, KCNJ1, KCNJ11 GPR55 1175/4885ADRB3 130/4885MEN1 1141/4885

“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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