SCHEMBL2124157

SCHEMBL2124157

CSc1ccccc1-c1nc2cc(F)ccc2c(Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
DHODH Q02127 12/20 0.39
ALOX5 P09917 1/20 0.37
DHFR P00374 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
MPO P05164 1/20 0.35
CTSG P08311 1/20 0.35
KLK7 P49862 1/20 0.35
CTRC Q99895 1/20 0.35
KLK14 Q9P0G3 1/20 0.35
KLK5 Q9Y337 1/20 0.35
KMT2A Q03164 2/20 0.34
PIK3CA P42336 1/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34

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 0.84 DHODH (0.48) ACHEDHODHDHFRALKBH5PIK3CA
SCHEMBL2123958 0.81 PIK3CA (0.35) DHODHALOX5DHFRALKBH5KMT2A
SCHEMBL2124964 0.80 TDO2 (0.47) ACHEDHODHMPOPIK3CA
SCHEMBL2123397 0.79 PIK3CA (0.42) ACHEDHODHDHFRALKBH5MPO
SCHEMBL2123517 0.78 PIK3CA (0.49) ACHEDHODHALOX5DHFRALKBH5
SCHEMBL2123877 0.77 ALOX5 (0.40) DHODHALOX5
SCHEMBL2608540 0.76 MBNL1 (0.39) DHODHALOX5KMT2APIK3CARAB9A
SCHEMBL244071 0.74 KDM4E (0.50) PIK3CAKDM4ENPC1
SCHEMBL2711237 0.74 ALOX5AP (0.35) DHODHKDM4E
SCHEMBL2124097 0.74 APEX1 (0.52) ACHEDHODHPIK3CASMN1; SMN2

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 ACHE 3061/4885DHODH 2656/4885ALOX5 456/4885

“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.