SCHEMBL16044005

SCHEMBL16044005

Cn1cc(-c2cc[c]c(F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
ERN1 O75460 1/20 0.41
PDK2 Q15119 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ACVR1 Q04771 1/20 0.40
CHRM1 P11229 5/20 0.39
KCNH2 Q12809 2/20 0.39
KDM1A O60341 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
DYRK1A Q13627 1/20 0.38
FLT3 P36888 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL1404511 0.80 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL28548161 0.80 PIK3CD (0.48) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL17959848 0.78 ERN1 (0.44) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL1780461 0.75 GPR55 (0.39) PIK3CAERN1PDK2MKNK1FLT3
SCHEMBL7861005 0.75
SCHEMBL1032066 0.74 MKNK1 (0.44) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL828382 0.73 CSF1R (0.50) FLT3
SCHEMBL884874 0.72 FLT3 (0.57) PIK3CDPDK2CHRM1DYRK1AFLT3
SCHEMBL13036109 0.71 KCNH2 (0.59) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
Ammonia Solution, Strong SCHEMBL18398436 0.71 FLT3 (0.56) PIK3CDPDK2CHRM1DYRK1AFLT3

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 7 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
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
EP-2970240-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH Novartis AG (CH) 2016-01-20 EP disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
WO-2014141104-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 WO 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 (4 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 1190/4885PIK3CB 1591/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PIK3CA 517/4885PIK3CD 1190/4885PIK3CB 1591/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PIK3CA 517/4885PIK3CD 1190/4885PIK3CB 1591/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A PIK3CA 517/4885PIK3CD 1190/4885PIK3CB 1591/4885

“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.