SCHEMBL2395588

SCHEMBL2395588

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5ccc(N6CCCC6)nc5)cc4c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 4/20 0.44
▸ ATM Q13315 3/20 0.40
▸ MTOR P42345 7/20 0.40
▸ PIK3CA P42336 4/20 0.40
▸ PIK3CD O00329 3/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PRKDC P78527 2/20 0.40
▸ ATR Q13535 2/20 0.40
▸ CHEK1 O14757 2/20 0.40
▸ PIK3C2A O00443 1/20 0.40
▸ PIK3C2B O00750 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ LTK P29376 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ NEK2 P51955 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL1558859 0.92 DGAT1 (0.45) LRRK2TLR8TLR7DGAT1SOAT1
SCHEMBL1559267 0.87 MTOR (0.41) ACVR1ATMMTORPIK3CAPIK3CD
SCHEMBL2398394 0.86 DYRK1A (0.47) ACVR1ATMMTORPIK3CAPIK3CD
SCHEMBL1559132 0.83 MTOR (0.44) ACVR1ATMMTORPIK3CAPIK3CD
SCHEMBL1559490 0.83 TRPA1 (0.44) ACVR1ATMMTORPIK3CAPIK3CD
SCHEMBL1558861 0.83 MTOR (0.54) ACVR1ATMMTORPIK3CAPIK3CD
SCHEMBL2394460 0.83 LRRK2 (0.52) LRRK2
SCHEMBL1559173 0.82 MTOR (0.42) ACVR1ATMMTORPIK3CAPIK3CD
SCHEMBL1558563 0.82 PDPK1 (0.48) ACVR1ATMMTORPIK3CAPIK3CD
SCHEMBL1558156 0.81 MTOR (0.55) ACVR1ATMMTORPIK3CAPIK3CD

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 ACVR1 1020/4885ATM 604/4885MTOR 26/4885

“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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