SCHEMBL1268334

SCHEMBL1268334

CC1CCC(=O)N1c1ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.36
▸ P2RX3 P56373 2/20 0.33
▸ P2RX2 Q9UBL9 2/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ CNR2 P34972 2/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL1269243 0.80 MCHR1 (0.33) —
SCHEMBL1269577 0.78 GRM5 (0.33) —
SCHEMBL1269529 0.72 PROKR1 (0.40) —
SCHEMBL1269274 0.72 XBP1 (0.31) MAP4K1
SCHEMBL1268804 0.72 PROKR1 (0.36) —
SCHEMBL1269350 0.71 PROKR1 (0.38) —
SCHEMBL1268426 0.71 LMNA (0.37) —
SCHEMBL1268371 0.71 PROKR1 (0.42) —
SCHEMBL1269223 0.71 HTR6 (0.41) —
SCHEMBL1269182 0.70 TP53 (0.38) —

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP ABL1 1410/4885P2RX3 3188/4885P2RX2 3725/4885

“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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