SCHEMBL856753

SCHEMBL856753

COc1ccc(Nc2cc(N3CCOCC3)nc(Cl)n2)cn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.58
PIK3CD O00329 4/20 0.58
PIK3CB P42338 4/20 0.58
PIK3CG P48736 4/20 0.58
MTOR P42345 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
ULK1 O75385 1/20 0.47
MAPK1 P28482 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
CYP2C19 P33261 1/20 0.43
CSF1R P07333 3/20 0.43
KIT P10721 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTK2 Q05397 1/20 0.42
BCL6 P41182 1/20 0.42

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
SCHEMBL856892 0.83 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19690838 0.80 MAPT (0.53) PIK3CAPIK3CDPIK3CBMAPK1POLB
SCHEMBL19708725 0.80 SMG1 (0.52) PIK3CAPIK3CDPIK3CBPIK3CGMAPK1
SCHEMBL856056 0.80 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL856846 0.79 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL3237051 0.79 LRRK2 (0.52) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL10162284 0.78 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL21313464 0.77 PIK3CD (0.51) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL855547 0.77 MAPT (0.48) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL855570 0.77 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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 PIK3CA 5/4885PIK3CD 7/4885PIK3CB 8/4885

“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.