SCHEMBL2397769

SCHEMBL2397769

Cn1nc(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cccnc4)ccc3ncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.46
▸ PIK3CD O00329 5/20 0.46
▸ PIK3CG P48736 4/20 0.46
▸ PIK3CB P42338 3/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ PRKDC P78527 8/20 0.45
▸ MTOR P42345 7/20 0.45
▸ CLK4 Q9HAZ1 3/20 0.45
▸ ATM Q13315 2/20 0.45
▸ ATR Q13535 2/20 0.45
▸ PIK3C2A O00443 1/20 0.45
▸ PIK3C2B O00750 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ MET P08581 1/20 0.45
▸ PIK3R1 P27986 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ NEK2 P51955 1/20 0.45

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
SCHEMBL2394305 0.89 MTOR (0.47) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2397133 0.88 PRKDC (0.43) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL2396983 0.87 MTOR (0.47) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL2395351 0.86 PRKDC (0.47) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL1558880 0.86 MTOR (0.44) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL1559289 0.86 MTOR (0.44) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL1559278 0.86 PRKDC (0.52) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL1559281 0.86 MTOR (0.43) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL2397002 0.86 MTOR (0.45) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL1558257 0.86 MTOR (0.53) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC

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 2 patents. 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
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 PIK3CA 1/4885PIK3CD 6/4885PIK3CG 11/4885

“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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