SCHEMBL2399245

SCHEMBL2399245

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5ccc(C#N)cc5)cc4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ MTOR P42345 12/20 0.40
▸ PIK3CA P42336 6/20 0.40
▸ PIK3CD O00329 4/20 0.40
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ LRRK2 Q5S007 3/20 0.38
▸ PIK3C2A O00443 1/20 0.38
▸ PIK3C2B O00750 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ CDK7 P50613 1/20 0.38

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
SCHEMBL1558563 0.91 PDPK1 (0.48) PDPK1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL1559173 0.91 MTOR (0.42) PDPK1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL2396054 0.90 MAP4K4 (0.46) PDPK1MAP4K4MTORPIK3CAPIK3CD
SCHEMBL1557499 0.90 MKNK1 (0.44) PDPK1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL1559013 0.90 ALDH1A1 (0.41) PDPK1TRPA1MTORPIK3CAPIK3CD
SCHEMBL1558560 0.90 PDPK1 (0.41) PDPK1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL2394081 0.90 MTOR (0.41) PDPK1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL1558782 0.88 MTOR (0.42) PDPK1MAP4K4MTORPIK3CAPIK3CD
SCHEMBL1559490 0.88 TRPA1 (0.44) PDPK1TRPA1MTORPIK3CAPIK3CD
SCHEMBL1558604 0.88 PDPK1 (0.41) PDPK1MTORPIK3CAPIK3CDPIK3CB

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 PDPK1 29/4885MAP4K4 173/4885TRPA1 4298/4885

“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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