SCHEMBL2124095

SCHEMBL2124095

COC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(Cl)c2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.52
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMO Q99835 3/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALK Q9UM73 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 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
SCHEMBL248736 0.89 PIK3CA (0.54) PIK3CAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL2123656 0.88 PIK3CA (0.41) PIK3CASMN1; SMN2HTTTRPV1ALDH1A1
SCHEMBL17635535 0.88 PIK3CA (0.41) PIK3CAMAPTSMN1; SMN2HTTKMT2A
SCHEMBL2729435 0.82 PIK3CA (0.60) PIK3CA
SCHEMBL2712128 0.81 HRH4 (0.48) PIK3CASMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL2125290 0.80 PIK3CA (0.47) PIK3CASMN1; SMN2ALDH1A1
SCHEMBL2711898 0.78 PIK3CA (0.50) PIK3CASMN1; SMN2KMT2APOLB
SCHEMBL2608578 0.78 PIK3CA (0.47) PIK3CAHTR3EHTR3BHTR3AHTR3D
SCHEMBL2711142 0.77 MAPT (0.47) PIK3CAMAPTSMN1; SMN2SMOHTT
Trifluoroacetic Acid SCHEMBL2124393 0.77 PIK3CA (0.42) PIK3CALMNA

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 20 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-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-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP 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
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-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
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 (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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885MAPT 3420/4885SMN1; SMN2 909/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 29/4885MAPT 3291/4885SMN1; SMN2 948/4885

“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.