SCHEMBL864541

SCHEMBL864541

CCCCN(C)c1nc2c(C)cccc2cc1C(C)Nc1ncnc2[nH]cnc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.57
PIK3CG P48736 1/20 0.37
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL863688 0.88 PIK3CD (0.43) PIK3CDPIK3CGLMNAHSD17B10
SCHEMBL864807 0.87 PIK3CD (0.42) PIK3CDPIK3CG
SCHEMBL864806 0.87 PIK3CD (0.42) PIK3CDPIK3CG
SCHEMBL860061 0.84 PIK3CD (0.51) PIK3CDTP53MAPT
SCHEMBL789100 0.83 PIK3CD (0.78) PIK3CD
SCHEMBL864955 0.80 PIK3CD (0.46) PIK3CDPIK3CG
SCHEMBL864956 0.80 PIK3CD (0.46) PIK3CDPIK3CG
SCHEMBL863646 0.77 PIK3CD (0.50) PIK3CDPIK3CGLMNA
SCHEMBL863647 0.77 PIK3CD (0.50) PIK3CDPIK3CGLMNA
SCHEMBL863864 0.75 PIK3CD (0.45) PIK3CDPIK3CG

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-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
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA PIK3CD 14/4885PIK3CG 21/4885LMNA 4619/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3CG 4/4885LMNA 2234/4885

“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.