SCHEMBL16045646

SCHEMBL16045646

Cc1nc(Cl)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.48
PIK3CD O00329 6/20 0.48
PIK3CG P48736 6/20 0.48
PIK3CB P42338 5/20 0.48
GAK O14976 1/20 0.48
PRKACG P22612 1/20 0.48
PIK3R1 P27986 1/20 0.48
MTOR P42345 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
IDH1 O75874 4/20 0.44
HDAC6 Q9UBN7 10/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL30500997 0.84 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL15801542 0.84 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL21181792 0.82 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL16042561 0.80 IDH1 (0.49) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL16043754 0.80 PIK3CA (0.52) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL20294508 0.79 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL15550748 0.79 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBGAK
Hydrochloric Acid SCHEMBL16042980 0.79 IDH1 (0.49) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL20025608 0.78 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL1938956 0.78 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
EP-2970240-B1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-01-10 EP disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-11-03 US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US 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 (5 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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PIK3CA 517/4885PIK3CD 1190/4885PIK3CG 1650/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PIK3CA 517/4885PIK3CD 1190/4885PIK3CG 1650/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PIK3CA 517/4885PIK3CD 1190/4885PIK3CG 1650/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PIK3CA 517/4885PIK3CD 1190/4885PIK3CG 1650/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A PIK3CA 517/4885PIK3CD 1190/4885PIK3CG 1650/4885

“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.