SCHEMBL2124652

SCHEMBL2124652

COc1cccc(-c2nc3cccc(F)c3c(Cl)c2C)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
BTK Q06187 1/20 0.35
APLNR P35414 2/20 0.34
NR4A2 P43354 1/20 0.34
DHODH Q02127 1/20 0.34
PIK3CA P42336 1/20 0.33
CNR1 P21554 1/20 0.33
TACR3 P29371 2/20 0.32
RPS6KA2 Q15349 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 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
SCHEMBL2710926 0.86 PIK3CA (0.37) BTKAPLNRNR4A2DHODHPIK3CA
SCHEMBL244335 0.79 NPC1 (0.48) PARP1KDM4EPIK3CA
SCHEMBL2125274 0.78 PIK3CA (0.47) BTKDHODHPIK3CACNR1TACR3
SCHEMBL2124507 0.75 MBNL1 (0.51) PARP1ALDH1A1DHODHPIK3CA
SCHEMBL2126492 0.74 CCR1 (0.40) PARP1PIK3CACNR1
SCHEMBL2126781 0.73 PARP1 (0.46) PARP1
SCHEMBL9981152 0.70 OXTR (0.42) BTKNR4A2DHODHTACR3RPS6KA2
SCHEMBL246153 0.70 CCR1 (0.39) PIK3CA
SCHEMBL2126972 0.70 CYP11B2 (0.43) KDM4EDHODH
SCHEMBL2712817 0.69 CYP11B1 (0.40) PARP1DHODHPIK3CA

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 PARP1 978/4885KDM4E 1436/4885ALDH1A1 3735/4885

“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.