SCHEMBL858097

SCHEMBL858097

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.46
HSP90AB1 P08238 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PIK3CA P42336 5/20 0.38
MAP3K12 Q12852 4/20 0.38
MAP4K4 O95819 2/20 0.38
POLB P06746 1/20 0.37
PIK3CD O00329 2/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
SYK P43405 1/20 0.35
DHFR P00374 2/20 0.34
AKT1 P31749 2/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL856935 0.77 MAP4K4 (0.39) HSP90AA1HSP90AB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20576488 0.76 MEN1 (0.42) HSP90AA1HSP90AB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21464453 0.75 MAP4K4 (0.46) HSP90AA1HSP90AB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10051515 0.74 MEN1 (0.60) HSP90AA1HSP90AB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16210026 0.74 MAP3K12 (0.44) PIK3CAMAP3K12PIK3CDMTOR
SCHEMBL9957212 0.73 PIK3CD (0.49) HSP90AA1HSP90AB1KDM4EALDH1A1MEN1
SCHEMBL16212144 0.71 MAP3K12 (0.53) MAP3K12
SCHEMBL2811686 0.71 PIK3CA (0.74) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL856932 0.71 MAP3K12 (0.48) PIK3CAMAP3K12PIK3CDPIK3CBAKT1
SCHEMBL855550 0.71 PIK3CA (0.74) PIK3CAMAP3K12AKT1MTOR

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 HSP90AA1 2339/4885HSP90AB1 1949/4885KDM4E 3148/4885

“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.