SCHEMBL2123397

SCHEMBL2123397

Cc1c(-c2cc(F)ccc2F)nc2cc(F)ccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
DHODH Q02127 15/20 0.41
DHFR P00374 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
MPO P05164 1/20 0.40
ACHE P22303 1/20 0.39
ABL1 P00519 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2126572 0.89 DHODH (0.48) PIK3CADHODHDHFRALKBH5ACHE
SCHEMBL2712008 0.85 AMY1A (0.40) PIK3CADHODHACHEKDM4E
SCHEMBL2123245 0.82 PIK3CA (0.41) PIK3CADHODHMPOACHEKDM4E
SCHEMBL2123766 0.81 MAPK14 (0.52) PIK3CADHODHMPO
SCHEMBL2124964 0.81 TDO2 (0.47) PIK3CADHODHMPOACHEABL1
SCHEMBL2124097 0.80 APEX1 (0.52) PIK3CADHODHACHE
SCHEMBL2712930 0.79 CYP11B1 (0.44) DHODHMPOACHEABL1
SCHEMBL2124157 0.79 ACHE (0.43) PIK3CADHODHDHFRALKBH5MPO
SCHEMBL2124656 0.78 PIK3CA (0.46) PIK3CADHODHMPOACHEKDM4E
SCHEMBL2123581 0.78 MPO (0.45) DHODHMPOACHEABL1KDM4E

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 2656/4885DHFR 3632/4885

“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.