SCHEMBL2713623

SCHEMBL2713623

Cc1ncccc1-c1nc2cc(F)cc(F)c2c(Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.43
MAPK14 Q16539 2/20 0.40
PDE2A O00408 5/20 0.39
DHODH Q02127 4/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TGFBR1 P36897 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35
TDO2 P48775 1/20 0.35
PIK3CA P42336 4/20 0.35
PDE5A O76074 1/20 0.34
PDE11A Q9HCR9 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
SCHEMBL2710817 0.87 PDE1A (0.38) PDE10AMAPK14PDE2ADHODHPDE6D
SCHEMBL2710938 0.85 MBNL1 (0.48) PDE10APDE2ADHODHPTGS1PIK3CA
SCHEMBL2714907 0.85 MAPK14 (0.34) MAPK14DHODHTGFBR1PIK3CA
SCHEMBL2711810 0.83 MBNL1 (0.37) PDE10AMAPK14DHODHPIK3CA
SCHEMBL245592 0.82 KDM4E (0.49) PIK3CA
SCHEMBL2123097 0.81 PIK3CA (0.46) PDE10ADHODHPIK3CA
SCHEMBL248485 0.81 PIK3CA (0.47) PDE2ADHODHPTGS1PTGS2PIK3CA
SCHEMBL2124964 0.81 TDO2 (0.47) PDE10AMAPK14PDE2ADHODHPTGS1
SCHEMBL2123958 0.80 PIK3CA (0.35) PDE10ADHODHPIK3CA
SCHEMBL2713014 0.79 DHODH (0.42) DHODH

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151791-A1 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PDE10A 3012/4885MAPK14 705/4885PDE2A 2775/4885

“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.