SCHEMBL404298

SCHEMBL404298

[C-]#[N+]c1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccn(C)n5)C4)c3C2)cnc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CA P42336 20/20 1.00

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
SCHEMBL322403 0.88 PIK3CD (0.79) PIK3CDPIK3CA
SCHEMBL322154 0.88 PIK3CD (0.79) PIK3CDPIK3CA
SCHEMBL404862 0.87 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL403513 0.87 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL404954 0.78 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL322152 0.78 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL17289285 0.78 PIK3CD (0.78) PIK3CDPIK3CA
SCHEMBL326503 0.77 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL326504 0.77 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL404567 0.77 PIK3CD (0.81) PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2012-03-15 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 (5 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-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS PIK3CD 6/4885PIK3CA 1/4885
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS PIK3CD 6/4885PIK3CA 1/4885
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS PIK3CD 6/4885PIK3CA 1/4885
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS PIK3CD 6/4885PIK3CA 1/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3CA 8/4885

“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.