SCHEMBL10124148

SCHEMBL10124148

CSc1nc(OC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 7/20 0.41
PIK3CD O00329 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
DRD2 P14416 2/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
PDE10A Q9Y233 3/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL15009709 0.89 PIK3CB (0.40) PIK3CBPIK3CDCKS1BSKP1SKP2
SCHEMBL10154242 0.89 PIK3CB (0.42) PIK3CBPIK3CDOPRM1OPRD1OPRK1
SCHEMBL10124713 0.86 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL10153845 0.86 PIK3CB (0.43) PIK3CBPIK3CDOPRM1OPRD1OPRK1
SCHEMBL16308115 0.85 MMP7 (0.37) PIK3CBPIK3CDOPRM1OPRD1OPRK1
SCHEMBL10124168 0.84 PIK3CB (0.42) PIK3CBPIK3CDOPRM1OPRD1OPRK1
SCHEMBL10124923 0.82 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308055 0.80 PIK3CB (0.40) PIK3CBPIK3CDOPRM1OPRD1OPRK1
SCHEMBL16308050 0.80 PIK3CB (0.40) PIK3CBPIK3CDOPRM1OPRD1OPRK1
SCHEMBL15009071 0.79 PIK3CB (0.41) PIK3CBPIK3CDPDCD1CD274PIK3CA

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 7/4885OPRM1 2258/4885

“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.