SCHEMBL14725938

SCHEMBL14725938

Brc1cn2ncnc2c(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.47
MAP4K4 O95819 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
PDE10A Q9Y233 3/20 0.40
TSHR P16473 1/20 0.40
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 1/20 0.36
PKM P14618 2/20 0.36
PIK3R1 P27986 1/20 0.36

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
SCHEMBL14725935 0.77 ALDH1A1 (0.39) PIK3CAKMT2AALDH1A1MAPK1PDE10A
SCHEMBL20957578 0.76 BTK (0.51) MAP4K4MEN1KMT2AMAPK1KDM4E
SCHEMBL2147043 0.75 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL7327979 0.73 HTR2C (0.70) PIK3CAALDH1A1MAPK1PDE10ATSHR
SCHEMBL9775094 0.73 ALDH1A1 (0.47) PIK3CAALDH1A1MAPK1TSHRHTR2C
SCHEMBL19760998 0.73 TLR9 (0.41) PIK3CAMAP4K4MEN1KMT2AMAPK1
SCHEMBL14725941 0.73 ALDH1A1 (0.37) PIK3CAMEN1KMT2AALDH1A1MAPK1
SCHEMBL14725934 0.73 PIK3R1 (0.39) PIK3CAMEN1KMT2AALDH1A1MAPK1
SCHEMBL14725940 0.73 PIK3CA (0.39) PIK3CAALDH1A1MAPK1TSHRHTR2C
SCHEMBL14725937 0.72 PDE4A (0.36) PIK3CAALDH1A1MAPK1TSHRHTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526102-B1 Inhibitors of PI3 kinase FUNDACIÓN CENTRO NAC DE INVESTIG ONCOLÓGICAS CARLOS III (ES) 2017-03-08 EP disclosed
US-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
US-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 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-20130053371-A1 INHIBITORS OF PI3 KINASE PIK3CA, MTOR, PIK3C2A PIK3CA 1/4885MAP4K4 40/4885MEN1 961/4885

“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.