SCHEMBL14830994

SCHEMBL14830994

C[C@H](Nc1nc(F)cc(F)n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.54
HTR7 P34969 5/20 0.50
KCNH3 Q9ULD8 1/20 0.46
NUDT1 P36639 1/20 0.46
ATP1A1 P05023 1/20 0.46
ATP1B1 P05026 1/20 0.46
ATP1A3 P13637 1/20 0.46
ATP1B2 P14415 1/20 0.46
ATP1A2 P50993 1/20 0.46
ATP1B3 P54709 1/20 0.46
FXYD2 P54710 1/20 0.46
ATP1A4 Q13733 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ADRA1D P25100 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
MAPK14 Q16539 3/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL14830995 1.00 IDH1 (0.54) IDH1HTR7KCNH3NUDT1ATP1A1
SCHEMBL9698795 0.84 HTR7 (0.62) IDH1HTR7KCNH3MEN1KMT2A
SCHEMBL28120957 0.81 HTR7 (0.57) IDH1HTR7ADRA1DHTR2CADRA1A
SCHEMBL7016449 0.79 IDH1 (0.55) IDH1HTR7KCNH3NUDT1ADRA1D
SCHEMBL4388171 0.76 GAA (0.53) IDH1HTR7KCNH3ADRA1DADRA1A
SCHEMBL10480049 0.76 GAA (0.53) IDH1HTR7KCNH3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL5471518 0.74 HTR7 (0.50) IDH1HTR7KCNH3NUDT1ADRA1D
SCHEMBL7594415 0.73 IDH1 (0.48) IDH1HTR7NUDT1MEN1KMT2A
SCHEMBL7021773 0.73 IDH1 (0.48) IDH1HTR7NUDT1MEN1KMT2A
SCHEMBL7018923 0.73 IDH1 (0.51) IDH1HTR7NUDT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970242-B1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-09-06 EP disclosed
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 EP disclosed
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-20160039802-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-02-11 US disclosed
EP-2970242-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH Novartis AG (CH) 2016-01-20 EP disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 US disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 US disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 US disclosed
WO-2014141153-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 WO disclosed
EP-2771337-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH Novartis AG (CH) 2014-09-03 EP disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 US disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 US disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 US disclosed
WO-2013046136-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2013-04-04 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 (2 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-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3A, IDH3B IDH1 1/4885HTR7 4450/4885KCNH3 1568/4885
US-20160039802-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3A, IDH3B IDH1 1/4885HTR7 4298/4885KCNH3 1090/4885

“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.