SCHEMBL2125285

SCHEMBL2125285

Cc1c(-c2cccc(F)c2)nc2ncccc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.45
PIK3CA P42336 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ABCG2 Q9UNQ0 5/20 0.44
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ADORA2A P29274 3/20 0.40
TDO2 P48775 1/20 0.40
ADORA1 P30542 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL251723 0.89 DHODH (0.44) DHODHPIK3CABCHEACHEABCG2
SCHEMBL2125622 0.85 PIK3CA (0.47) DHODHPIK3CABCHEACHEABCG2
SCHEMBL2124987 0.83 DHODH (0.62) DHODHPIK3CAABCG2KDM4EALDH1A1
SCHEMBL2712683 0.81 ADORA2A (0.57) DHODHABCG2ADORA2AKDM4EALDH1A1
SCHEMBL2124941 0.73 KDM4E (0.45) DHODHPIK3CAADORA2AADORA1KDM4E
SCHEMBL2123504 0.73 PIK3CA (0.48) DHODHPIK3CABCHEACHEALDH1A1
SCHEMBL252439 0.72 L3MBTL1 (0.44) DHODHACHEKDM4EALDH1A1HCAR2
SCHEMBL1259738 0.70 CYP2A6 (0.56) BCHEACHECDC7ROCK2MAP4K4
SCHEMBL2124769 0.70 DHODH (0.50) DHODHPIK3CATDO2KDM4E
SCHEMBL13063901 0.69 ADORA2A (0.60) DHODHABCG2GSK3BADORA2AALDH1A1

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 DHODH 2656/4885PIK3CA 28/4885BCHE 1616/4885

“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.