SCHEMBL2396069

SCHEMBL2396069

CNC(=O)c1ccc(-c2ccc3ncc4[nH]nc(-c5ccc(C(C)(C)C#N)cc5)c4c3c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 10/20 0.52
▸ JAK3 P52333 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ PIK3CA P42336 4/20 0.40
▸ PIP5K1C O60331 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ OTUD7B Q6GQQ9 2/20 0.38
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ PIK3C2A O00443 1/20 0.37
▸ PIK3C2B O00750 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ ABCB11 O95342 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
SCHEMBL2396700 0.89 MTOR (0.51) MTORJAK3JAK2JAK1TYK2
SCHEMBL2400646 0.88 MTOR (0.44) MTORJAK3PIK3CAPI4KAPI4KB
SCHEMBL1559023 0.87 MTOR (0.44) MTORJAK3PIK3CAPIK3CDUSP30
SCHEMBL1558762 0.86 CDK7 (0.49) MTORJAK3JAK2JAK1TYK2
SCHEMBL1559132 0.84 MTOR (0.44) MTORJAK3JAK2JAK1TYK2
SCHEMBL1558848 0.84 MTOR (0.49) MTORJAK3PIK3CATLR8TLR7
SCHEMBL2399435 0.83 MTOR (0.45) MTORJAK3PIK3CAPIK3CDPIK3CB
SCHEMBL1559075 0.83 ALDH1A1 (0.45) MTORJAK3JAK2PIK3CAPIK3CD
SCHEMBL1558380 0.83 MTOR (0.51) MTORJAK3JAK2JAK1TYK2
SCHEMBL1559490 0.82 TRPA1 (0.44) MTORJAK3PIK3CAPIK3CDPIK3CB

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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 MTOR 26/4885JAK3 110/4885JAK2 109/4885

“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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