SCHEMBL857140

SCHEMBL857140

CC(C)(C)C(=O)Nc1ncc(-c2nc(Cl)cc(N3CCOCC3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CG P48736 1/20 0.44
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
RAF1 P04049 5/20 0.41
BRAF P15056 5/20 0.41
GAA P10253 1/20 0.41
CNR2 P34972 2/20 0.40
HTT P42858 2/20 0.40
MTOR P42345 2/20 0.39
AKT1 P31749 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3R1 P27986 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL857131 0.88 MAPT (0.42) PIK3CAKMT2AMAPTCYP1A2CYP2D6
SCHEMBL856713 0.87 CNR2 (0.45) PIK3CAPIK3CDPIK3CGKMT2AMAPT
SCHEMBL855454 0.86 MTOR (0.46) PIK3CAPIK3CDPIK3CGMAPTCYP1A2
SCHEMBL1309333 0.72 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGKMT2ARAF1
SCHEMBL15586651 0.71 PTK2 (0.48) MAPTCNR2HTTLMNASMN1; SMN2
SCHEMBL1309533 0.71 PIK3CA (0.52) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL1311088 0.69 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGMAPTGAA
SCHEMBL1029661 0.69 HTT (0.80) PIK3CAKMT2AMAPTCYP1A2CYP2D6
SCHEMBL855474 0.69 DYRK1A (0.49) PIK3CAPIK3CGMAPTCYP1A2RAF1
SCHEMBL1399272 0.68 MAPT (0.68) KMT2AMAPTCYP1A2GAAHTT

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 9 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

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 5/4885PIK3CD 7/4885PIK3CG 9/4885

“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.