SCHEMBL10124233

SCHEMBL10124233

C[C@@H]1COCCN1c1nc(Cl)nc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 16/20 0.62
PIK3CD O00329 11/20 0.62
PIK3CA P42336 10/20 0.62
PIK3CG P48736 9/20 0.62
PIK3R1 P27986 4/20 0.62
PIK3C2B O00750 1/20 0.62
MTOR P42345 1/20 0.62
ATR Q13535 2/20 0.59
PDCD1 Q15116 2/20 0.56
CD274 Q9NZQ7 2/20 0.56
CHEK1 O14757 1/20 0.54
ATRIP Q8WXE1 1/20 0.54

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
SCHEMBL4114867 0.87 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4114870 0.87 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4585104 0.86 PDCD1 (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8012160 0.84 PIK3CA (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL29434918 0.84 PIK3CB (0.88) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL477634 0.84 PIK3CB (0.88) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15805508 0.83 PIK3CB (0.75) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL13247081 0.82 PDCD1 (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10125282 0.81 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029392 0.80 PDCD1 (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PIK3CB 13/4885PIK3CD 7/4885PIK3CA 28/4885

“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.