SCHEMBL10124770

SCHEMBL10124770

COc1ccc(CN[C@H]2CC[C@H](CNc3nc(N4CCOCC4)cc(-n4c(C(F)F)nc5ccccc54)n3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 17/20 0.51
CYP2D6 P10635 1/20 0.48
HRH1 P35367 1/20 0.48
KCNH2 Q12809 1/20 0.48
PIK3CD O00329 9/20 0.46
PIK3CA P42336 8/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CG P48736 6/20 0.45
LMNA P02545 1/20 0.44
NAPEPLD Q6IQ20 1/20 0.43

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
SCHEMBL10124773 0.93 PIK3CB (0.50) PIK3CBCYP2D6HRH1KCNH2PIK3CD
SCHEMBL10124787 0.92 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10124751 0.88 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10124753 0.88 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10124777 0.88 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029783 0.88 PIK3CB (0.56) PIK3CBCYP2D6HRH1KCNH2PIK3CD
SCHEMBL10124946 0.87 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10124730 0.86 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10124772 0.86 PIK3CB (0.47) PIK3CBCYP2D6HRH1KCNH2PIK3CD
SCHEMBL9949757 0.85 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US 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 13/4885CYP2D6 3130/4885HRH1 212/4885

“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.