SCHEMBL17783841

SCHEMBL17783841

CN1CCC(N(C)CC2CCN(c3ncnc4sc(Br)c(-c5ccccc5)c34)CC2)C1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ADRB3 P13945 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ STAT3 P40763 1/20 0.41

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
SCHEMBL14964995 0.84 MEN1 (0.43) MEN1KMT2A
SCHEMBL14969469 0.83 GPR55 (0.43) MEN1KMT2AADRB3
SCHEMBL16293345 0.82 — —
SCHEMBL16294040 0.81 GPR55 (0.41) MEN1KMT2AADRB3
SCHEMBL16293975 0.78 POLB (0.61) KMT2AADRB3POLB
SCHEMBL16293967 0.74 — —
SCHEMBL16293493 0.72 ADRB3 (0.64) KMT2AADRB3POLB
SCHEMBL14964948 0.70 ADRB3 (0.59) KMT2AADRB3POLB
SCHEMBL14970182 0.70 SMN1; SMN2 (0.47) —
SCHEMBL14965731 0.70 ADRB3 (0.55) ADRB3

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-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2016-06-02 — — 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-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 MEN1 1205/4885KMT2A 1025/4885ADRB3 131/4885

“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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