SCHEMBL856932

SCHEMBL856932

Nc1ncc(-c2cc(Cl)nc(C3CCOCC3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 5/20 0.48
PIK3CA P42336 16/20 0.45
MTOR P42345 6/20 0.43
AKT1 P31749 5/20 0.43
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL854981 0.80 PIK3CA (0.67) MAP3K12PIK3CAMTORAKT1
SCHEMBL855517 0.77 PIK3CA (0.38) PIK3CAMTOR
SCHEMBL2811686 0.73 PIK3CA (0.74) MAP3K12PIK3CAMTORAKT1PIK3CD
SCHEMBL858097 0.71 HSP90AA1 (0.46) MAP3K12PIK3CAMTORAKT1PIK3CD
SCHEMBL16216910 0.70 MAP3K12 (0.56) MAP3K12
SCHEMBL16216900 0.70 MAP3K12 (0.53) MAP3K12
SCHEMBL3797218 0.70 CYP1A2 (0.49) MAP3K12PIK3CAPIK3CDPIK3CB
SCHEMBL602965 0.67 KDM4E (0.54)
SCHEMBL19273576 0.67 MAP3K12 (0.67) MAP3K12
SCHEMBL30784984 0.67 PIK3CA (0.39) PIK3CAMTORPIK3CDPIK3CB

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 11 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
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 MAP3K12 60/4885PIK3CA 5/4885MTOR 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.