SCHEMBL16245259

SCHEMBL16245259

CCc1c(-c2ccc(N3CCOCC3)cc2)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.37
▸ MTOR P42345 2/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CFTR P13569 1/20 0.34

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
SCHEMBL2321835 0.88 CA12 (0.42) USP2ADORA2BKMT2A
SCHEMBL2318630 0.84 CD274 (0.46) ALDH1A1HPGD
SCHEMBL2318609 0.84 MAPT (0.41) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL2318721 0.84 MTOR (0.34) MTORGAA
SCHEMBL2317810 0.81 ALDH1A1 (0.36) MAPTGAASMN1; SMN2ADORA2BKMT2A
SCHEMBL2316443 0.80 ESRRG (0.38) SMN1; SMN2ADORA2BALDH1A1
SCHEMBL2317311 0.79 EED (0.34) ABL1
SCHEMBL16245174 0.79 MAPK8 (0.44) ABL1BCRGAASMN1; SMN2POLB
SCHEMBL16245234 0.79 NR1H3 (0.36) PIK3CAALDH1A1
SCHEMBL1932784 0.78 PTGDR2 (0.34) GAAPOLBALDH1A1KDM4EHPGD

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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 PIK3CA 739/4885MTOR 397/4885AKT1 3248/4885

“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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