SCHEMBL2123097

SCHEMBL2123097

Cc1c(-c2cccc3ccccc23)nc2cc(F)cc(F)c2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
DHODH Q02127 8/20 0.39
MBNL1 Q9NR56 1/20 0.38
PGK1 P00558 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
PDE10A Q9Y233 1/20 0.34
DHFR P00374 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
KDR P35968 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL2710938 0.87 MBNL1 (0.48) PIK3CADHODHMBNL1PDE10ADHFR
SCHEMBL2711810 0.85 MBNL1 (0.37) PIK3CADHODHMBNL1KMT2APDE10A
SCHEMBL2123958 0.84 PIK3CA (0.35) PIK3CADHODHMBNL1KMT2AMAPT
SCHEMBL2126067 0.82 PIK3CA (0.49) PIK3CAPGK1DHFRKDR
SCHEMBL2728036 0.82 HSD11B1 (0.42) PIK3CADHODHPDE10A
SCHEMBL2713623 0.81 PDE10A (0.43) PIK3CADHODHPDE10A
SCHEMBL2725899 0.81 KDR (0.37) PIK3CADHODHPDE10AKDR
SCHEMBL2712894 0.80 MBNL1 (0.33) PIK3CADHODHMBNL1KMT2APDE10A
SCHEMBL248485 0.80 PIK3CA (0.47) PIK3CADHODHKMT2A
SCHEMBL246153 0.77 CCR1 (0.39) 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 28/4885DHODH 2656/4885MBNL1 1806/4885

“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.