SCHEMBL404176

SCHEMBL404176

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.41
PDPK1 O15530 1/20 0.35
BACE1 P56817 2/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
JAK2 O60674 1/20 0.32
XDH P47989 2/20 0.32
RET P07949 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
EGLN2 Q96KS0 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
SCHEMBL2637386 0.87 AAK1 (0.35) AAK1PDPK1BACE1ALDH1A1
SCHEMBL2636962 0.86 GABRA1 (0.36) AAK1PDPK1BACE1
SCHEMBL17034514 0.82 PDPK1 (0.36) AAK1PDPK1BACE1
SCHEMBL4038613 0.81 PDPK1 (0.35) AAK1PDPK1NR1H2NR1H3ALDH1A1
SCHEMBL4039576 0.81 MAPK1 (0.38) AAK1PDPK1ALDH1A1XDHGAA
SCHEMBL2636301 0.81 BACE1 (0.35) AAK1PDPK1BACE1
SCHEMBL2636865 0.81 BACE1 (0.35) AAK1PDPK1BACE1
SCHEMBL31268069 0.81 AAK1 (0.46) AAK1PDPK1BACE1ALDH1A1
SCHEMBL1958367 0.81 AAK1 (0.46) AAK1PDPK1BACE1ALDH1A1
SCHEMBL29833741 0.78 AAK1 (0.39) AAK1PDPK1BACE1ALDH1A1GAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392132-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2020-12-17 US disclosed
US-20190218217-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives as PI3Kdelta inhibitors NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20190040061-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2019-02-07 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2017-09-21 US disclosed
US-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2017-09-21 US disclosed
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2017-01-26 US disclosed
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2017-01-26 US disclosed
US-9499536-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2016-11-22 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
EP-2590974-B1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-05-21 EP disclosed
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2014-05-08 US disclosed
US-8653092-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2014-02-18 US disclosed
US-8653092-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2014-02-18 US disclosed
WO-2013088404-A1 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2013-06-20 WO disclosed
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2012-03-15 US disclosed
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2012-03-15 US disclosed
WO-2012004299-A1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-01-12 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 (8 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-20190040061-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS AAK1 1872/4885PDPK1 34/4885BACE1 547/4885
US-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS AAK1 1872/4885PDPK1 34/4885BACE1 547/4885
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS AAK1 1872/4885PDPK1 34/4885BACE1 547/4885
US-20200392132-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS AAK1 1872/4885PDPK1 34/4885BACE1 547/4885
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS AAK1 1872/4885PDPK1 34/4885BACE1 547/4885
US-20190218217-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives as PI3Kdelta inhibitors PIK3CA, PIK3CD, PIK3CB AAK1 1541/4885PDPK1 32/4885BACE1 744/4885
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS AAK1 1872/4885PDPK1 34/4885BACE1 547/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 AAK1 2134/4885PDPK1 64/4885BACE1 1378/4885

“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.