SCHEMBL15029627

SCHEMBL15029627

FC(F)c1nc2ccc(Cl)cc2n1-c1cc(N2CCOCC2)nc(NCC2CCNCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 16/20 0.48
PIK3CD O00329 10/20 0.44
PIK3CA P42336 8/20 0.44
PIK3CG P48736 5/20 0.44
PIK3R1 P27986 2/20 0.44
HRH4 Q9H3N8 1/20 0.40
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NAPEPLD Q6IQ20 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
SCHEMBL15029342 0.90 PIK3CB (0.48) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009256 0.89 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029628 0.88 PIK3CB (0.46) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029296 0.87 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029403 0.83 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308175 0.83 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308097 0.82 TGFBR1 (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124940 0.81 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124943 0.81 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL17529191 0.80 PIK3CB (0.59) 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
EP-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
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 16/4885PIK3CD 6/4885PIK3CA 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.