SCHEMBL15029574

SCHEMBL15029574

CSc1nc(N2CCOCC2)cc(-n2c(C(F)F)nc3cccc(C)c32)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 12/20 0.54
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PIK3CD O00329 9/20 0.44
PIK3CA P42336 9/20 0.44
PIK3R1 P27986 7/20 0.44
PIK3CG P48736 3/20 0.44
PIK3C2B O00750 1/20 0.44
MTOR P42345 1/20 0.44
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9950752 0.84 PIK3CB (0.76) PIK3CBKMT2AKDM4EMAPTRXFP1
SCHEMBL15029573 0.84 PIK3CB (0.53) PIK3CBALDH1A1KDM4EGAAHPGD
SCHEMBL15029569 0.83 PIK3CB (0.60) PIK3CBKMT2APIK3CDPIK3CAPIK3R1
SCHEMBL15029840 0.80 PIK3CB (0.57) PIK3CBKMT2AKDM4EMAPTRXFP1
SCHEMBL15029844 0.80 PIK3CB (0.57) PIK3CBKMT2AKDM4EMAPTRXFP1
SCHEMBL10124146 0.78 PIK3CB (0.57) PIK3CBKMT2AKDM4EMAPTRXFP1
SCHEMBL10124151 0.78 PIK3CB (0.57) PIK3CBKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL15029576 0.77 PIK3CB (0.56) PIK3CBKMT2AALDH1A1KDM4EMAPT
SCHEMBL15029959 0.77 PIK3CB (0.46) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029918 0.76 PIK3CB (0.45) PIK3CBALDH1A1KDM4EGAAHPGD

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-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PIK3CB 16/4885KMT2A 1663/4885ALDH1A1 1855/4885

“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.