SCHEMBL404990

SCHEMBL404990

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
SSTR4 P31391 2/20 0.38
AAK1 Q2M2I8 3/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SOS1 Q07889 1/20 0.35
PDPK1 O15530 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NOTUM Q6P988 2/20 0.32
CETP P11597 1/20 0.31
USP30 Q70CQ3 1/20 0.31
ASPH Q12797 1/20 0.31
ABHD6 Q9BV23 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL27812691 0.87 SSTR4 (0.36) BACE1SSTR4AAK1CACNA1GCACNA1B
SCHEMBL31268069 0.82 AAK1 (0.46) BACE1SSTR4AAK1ALDH1A1SOS1
SCHEMBL1958367 0.82 AAK1 (0.46) BACE1SSTR4AAK1ALDH1A1SOS1
SCHEMBL29833741 0.80 AAK1 (0.39) BACE1AAK1ALDH1A1PDPK1
SCHEMBL13199693 0.80 AAK1 (0.39) BACE1AAK1ALDH1A1PDPK1
SCHEMBL10311298 0.80 BACE1 (0.38) BACE1SSTR4AAK1ALDH1A1PDPK1
SCHEMBL1958363 0.78 AAK1 (0.41) BACE1SSTR4AAK1ALDH1A1SOS1
SCHEMBL13199706 0.78 AAK1 (0.39) BACE1SSTR4AAK1ALDH1A1SOS1
SCHEMBL29651923 0.78 AAK1 (0.39) BACE1SSTR4AAK1ALDH1A1SOS1
SCHEMBL2637386 0.77 AAK1 (0.35) BACE1SSTR4AAK1ALDH1A1PDPK1

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 BACE1 547/4885SSTR4 3869/4885AAK1 1872/4885
US-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS BACE1 547/4885SSTR4 3869/4885AAK1 1872/4885
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS BACE1 547/4885SSTR4 3869/4885AAK1 1872/4885
US-20200392132-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS BACE1 547/4885SSTR4 3869/4885AAK1 1872/4885
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS BACE1 547/4885SSTR4 3869/4885AAK1 1872/4885
US-20190218217-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives as PI3Kdelta inhibitors PIK3CA, PIK3CD, PIK3CB BACE1 744/4885SSTR4 4508/4885AAK1 1541/4885
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS BACE1 547/4885SSTR4 3869/4885AAK1 1872/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 BACE1 1378/4885SSTR4 3607/4885AAK1 2134/4885

“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.