SCHEMBL855852

SCHEMBL855852

COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.56
AKT1 P31749 13/20 0.56
MTOR P42345 12/20 0.56
MAP3K12 Q12852 1/20 0.56
ROS1 P08922 2/20 0.50
ATR Q13535 1/20 0.49
ATRIP Q8WXE1 1/20 0.49
PIK3R1 P27986 1/20 0.49
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL855844 0.90 PIK3CA (0.54) PIK3CAAKT1MTORMAP3K12ROS1
SCHEMBL857091 0.90 PIK3CA (0.53) PIK3CAAKT1MTORMAP3K12ROS1
SCHEMBL856068 0.86 MTOR (0.58) PIK3CAMTORPIK3R1
SCHEMBL10327882 0.84 PIK3CA (0.62) PIK3CAAKT1MTORMAP3K12PIK3R1
SCHEMBL855474 0.78 DYRK1A (0.49) PIK3CAROS1ATRATRIPMAPT
SCHEMBL10327805 0.77 PIK3CA (0.55) PIK3CAAKT1MTORMAP3K12PIK3R1
SCHEMBL10328297 0.77 PIK3CA (0.51) PIK3CAMTORMAP3K12PIK3R1
SCHEMBL13136652 0.76 CNR2 (0.55) PIK3CAATRATRIP
SCHEMBL248166 0.76 ATR (0.49) PIK3CAAKT1MTORATRATRIP
SCHEMBL31295967 0.73 SCN2A (0.64) PIK3CAAKT1MTORMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2118087-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-11-18 EP disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 WO disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 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 (1 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A PIK3CA 5/4885AKT1 22/4885MTOR 64/4885

“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.