SCHEMBL2125696

SCHEMBL2125696

Cc1c(-c2cncc(F)c2)nc2cc(F)cc(F)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.44
CYP11B1 P15538 13/20 0.39
CYP11B2 P19099 13/20 0.39
CYP19A1 P11511 3/20 0.39
NQO2 P16083 1/20 0.37
ADORA2B P29275 1/20 0.37
CYP17A1 P05093 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.34
PIM1 P11309 1/20 0.33
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31

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
SCHEMBL2125276 0.91 PIK3CA (0.45) PIK3CACYP11B1CYP11B2CYP19A1
SCHEMBL2711406 0.91 PIK3CA (0.38) PIK3CACYP11B1CYP11B2CYP19A1
SCHEMBL249083 0.86 CYP11B1 (0.44) PIK3CACYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL2124466 0.86 CYP11B1 (0.38) PIK3CACYP11B1CYP11B2
SCHEMBL2126073 0.84 PIK3CA (0.49) PIK3CA
SCHEMBL2712817 0.84 CYP11B1 (0.40) PIK3CACYP11B1CYP11B2CYP19A1NQO2
SCHEMBL2713014 0.83 DHODH (0.42) CYP11B1CYP11B2NQO2ADORA2BCYP17A1
SCHEMBL2712520 0.82 MAPK14 (0.48) ADORA2BCYP3A4
SCHEMBL2710993 0.79 CYP11B2 (0.35) PIK3CACYP11B1CYP11B2ADORA2BCYP3A4
SCHEMBL249053 0.79 DHODH (0.37) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885CYP11B1 1284/4885CYP11B2 1362/4885

“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.