SCHEMBL2713622

SCHEMBL2713622

Cc1ccc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.38
DHODH Q02127 8/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
PIK3CA P42336 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
DHFR P00374 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
ABL1 P00519 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
SCHEMBL2712520 0.82 MAPK14 (0.48) MAPK14DHODHALDH1A1
SCHEMBL249053 0.82 DHODH (0.37) MAPK14DHODHPTGS2PTGS1PIK3CA
SCHEMBL2711740 0.82 DHODH (0.48) MAPK14DHODHDHFRALKBH5
SCHEMBL2710993 0.82 CYP11B2 (0.35) DHODHMAPTPIK3CADHFRALKBH5
SCHEMBL2608573 0.82 MAPK14 (0.43) MAPK14MAPK1PIK3CA
SCHEMBL2124767 0.79 PIK3CA (0.49) PIK3CAABL1
SCHEMBL2711743 0.79 MAOB (0.35) MAPK14DHODHDHFRALKBH5
SCHEMBL2125696 0.78 PIK3CA (0.44) PIK3CA
SCHEMBL2713014 0.78 DHODH (0.42) DHODH
SCHEMBL2712393 0.78 ADK (0.40) AURKB

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 MAPK14 705/4885DHODH 3503/4885PTGS2 332/4885

“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.