SCHEMBL10124151

SCHEMBL10124151

CSc1nc(N2CCOCC2)cc(-n2c(C(F)F)nc3ccc(F)cc32)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 12/20 0.57
PIK3CD O00329 10/20 0.49
PIK3CA P42336 9/20 0.49
KMT2A Q03164 1/20 0.49
PIK3R1 P27986 7/20 0.45
PIK3CG P48736 3/20 0.45
PIK3C2B O00750 1/20 0.45
MTOR P42345 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AOC3 Q16853 1/20 0.39

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
SCHEMBL10124146 0.92 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL15029844 0.89 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL15029576 0.88 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL9950752 0.87 PIK3CB (0.76) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL15029572 0.87 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL15029886 0.87 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL15029840 0.83 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL9950895 0.82 KMT2A (0.44) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL15029569 0.78 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAKMT2APIK3R1
SCHEMBL15029574 0.78 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAKMT2APIK3R1

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 3 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
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.