SCHEMBL2398355

SCHEMBL2398355

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5cc6cccnc6s5)cc4c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.40
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ MTOR P42345 13/20 0.37
▸ PIK3CA P42336 7/20 0.37
▸ PIK3CD O00329 5/20 0.37
▸ PIK3CG P48736 4/20 0.37
▸ PIK3CB P42338 3/20 0.37
▸ PRKDC P78527 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ ATR Q13535 2/20 0.37
▸ JAK3 P52333 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
▸ CSF1R P07333 1/20 0.37
▸ MET P08581 1/20 0.37
▸ PIK3R1 P27986 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
SCHEMBL1558243 0.87 MTOR (0.36) PDPK1PIM1PIM3PIM2MTOR
SCHEMBL1558763 0.86 MTOR (0.47) PDPK1PIM1PIM3PIM2MTOR
SCHEMBL1558643 0.83 PIM1 (0.39) PIM1PIM3PIM2LRRK2CLK4
SCHEMBL1557389 0.82 PDPK1 (0.45) PDPK1PIM1PIM3PIM2MTOR
SCHEMBL1558232 0.82 PDPK1 (0.43) PDPK1PIM1PIM3PIM2MTOR
SCHEMBL1558563 0.81 PDPK1 (0.48) PDPK1PIM1PIM3PIM2MTOR
SCHEMBL1558928 0.81 MTOR (0.56) PDPK1PIM1PIM3PIM2MTOR
SCHEMBL2395802 0.80 PDPK1 (0.47) PDPK1MTORPIK3CAPIK3CDPIK3CG
SCHEMBL1557499 0.80 MKNK1 (0.44) PDPK1PIM1MTORPIK3CAPIK3CD
SCHEMBL2399164 0.80 MTOR (0.43) PDPK1PIM1PIM3PIM2MTOR

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 29/4885PIM1 417/4885PIM3 363/4885

“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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