SCHEMBL248471

SCHEMBL248471

Cc1c(N2CCC[C@@H]2C(=O)OC(C)(C)C)nc2cc(F)cc(F)c2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
PIK3CA P42336 1/20 0.35
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
PIK3CD O00329 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
RIPK1 Q13546 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
SCN9A Q15858 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
ROCK2 O75116 1/20 0.32
KMT2A Q03164 1/20 0.32
FPR2 P25090 1/20 0.32
NTRK1 P04629 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL248470 1.00 TRPV1 (0.38) TRPV1PIK3CAATRATRIPPIK3CD
SCHEMBL248998 1.00 TRPV1 (0.38) TRPV1PIK3CAATRATRIPPIK3CD
SCHEMBL248326 0.86 KMT2A (0.41) PIK3CDOPRM1OPRK1OGFRL1KMT2A
SCHEMBL3788198 0.79 PIK3CA (0.42) PIK3CANTRK1HDAC6
SCHEMBL2712304 0.79 PIK3CA (0.42) PIK3CANTRK1HDAC6
SCHEMBL2732507 0.79 PIK3CA (0.42) PIK3CANTRK1HDAC6
SCHEMBL248736 0.77 PIK3CA (0.54) PIK3CAOPRM1OPRD1OGFRL1KMT2A
SCHEMBL2712539 0.76 PIK3CA (0.43) PIK3CAATRATRIPPIK3CDNTRK1
SCHEMBL2713594 0.76 PIK3CA (0.43) PIK3CAATRATRIPPIK3CDNTRK1
SCHEMBL2715050 0.76 PIK3CA (0.43) PIK3CAATRATRIPPIK3CDNTRK1

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 15 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-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO 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 (2 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 TRPV1 2029/4885PIK3CA 28/4885ATR 203/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 TRPV1 1841/4885PIK3CA 29/4885ATR 200/4885

“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.