SCHEMBL3780862

SCHEMBL3780862

Cc1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nc2cc(F)cc(F)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
PIK3CA P42336 2/20 0.42
SUV39H2 Q9H5I1 2/20 0.41
HDAC1 Q13547 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
MAPT P10636 3/20 0.37
TRPV1 Q8NER1 4/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
NTRK1 P04629 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CHRM4 P08173 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
SCHEMBL3780861 1.00 MAP4K4 (0.43) MAP4K4PIK3CASUV39H2HDAC1GPR119
SCHEMBL3782700 1.00 MAP4K4 (0.43) MAP4K4PIK3CASUV39H2HDAC1GPR119
SCHEMBL2711374 0.87 TRPV1 (0.40) MAPTTRPV1CHRM4
SCHEMBL248736 0.85 PIK3CA (0.54) MAP4K4PIK3CASUV39H2GPR119MAPT
SCHEMBL2732507 0.83 PIK3CA (0.42) PIK3CAGPR119MAPTNTRK1LMNA
SCHEMBL2712304 0.83 PIK3CA (0.42) PIK3CAGPR119MAPTNTRK1LMNA
SCHEMBL3788198 0.83 PIK3CA (0.42) PIK3CAGPR119MAPTNTRK1LMNA
SCHEMBL3784844 0.77 PIK3CA (0.48) MAP4K4PIK3CANR1H2NR1H3
SCHEMBL3775860 0.77 PIK3CA (0.48) MAP4K4PIK3CANR1H2NR1H3
SCHEMBL3775863 0.77 PIK3CA (0.48) MAP4K4PIK3CANR1H2NR1H3

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
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
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

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 MAP4K4 1103/4885PIK3CA 29/4885SUV39H2 1233/4885

“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.