SCHEMBL2507652

SCHEMBL2507652

C[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2n1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
CYP11B2 P19099 14/20 0.46
CYP11B1 P15538 9/20 0.45
ADRB1 P08588 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP19A1 P11511 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
NR1H4 Q96RI1 1/20 0.41
BRD4 O60885 1/20 0.41
ALK Q9UM73 1/20 0.40

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
SCHEMBL2507650 1.00 PIK3CD (0.49) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL11901298 0.96 PIK3CD (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL11964466 0.95 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2503479 0.92 SMN1; SMN2 (0.42) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2503477 0.92 SMN1; SMN2 (0.42) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL11900899 0.89 PIK3CD (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL11901639 0.89 PIK3CD (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL11900901 0.89 PIK3CD (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL11902050 0.88 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2557393 0.85 PIK3CD (0.54) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008081-A1 STABILIZED POLYPEPTIDE INSULIN RECEPTOR MODULATORS President and Fellows of Harvard College (US) 2016-04-20 EP disclosed
EP-2920197-A2 PROLINE-LOCKED STAPLED PEPTIDES AND USES THEREOF President and Fellows of Harvard College (US) 2015-09-23 EP disclosed
WO-2014201370-A1 STABILIZED POLYPEPTIDE INSULIN RECEPTOR MODULATORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-12-18 WO disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012040459-A2 BETA-CATENIN TARGETING PEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-29 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 PIK3CD 2/4885PIK3R1 20/4885PIK3CA 1/4885
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3R1 48/4885PIK3CA 26/4885

“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.