SCHEMBL1440419

SCHEMBL1440419

O=C1N[C@@H](c2ccccn2)CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL1439472 1.00 ALDH1A1 (0.42) ALDH1A1KMT2ARAB9AMAPTNPC1
SCHEMBL17497288 0.75 ALDH1A1 (0.37) ALDH1A1KMT2ARAB9AMAPTNPC1
SCHEMBL17497283 0.75 ALDH1A1 (0.37) ALDH1A1KMT2ARAB9AMAPTNPC1
SCHEMBL18150679 0.75 CRBN (0.58) ALDH1A1KMT2ARAB9AMAPTNPC1
SCHEMBL1439209 0.74 PDE3B (0.34)
SCHEMBL2148256 0.74 DGAT1 (0.36) ALDH1A1DDB1CRBNGSK3BKDM4E
SCHEMBL1439212 0.74 PDE3B (0.34)
SCHEMBL2148261 0.74 DGAT1 (0.36) ALDH1A1DDB1CRBNGSK3BKDM4E
SCHEMBL16106147 0.73 SMN1; SMN2 (0.42) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL4562 0.73 SMN1; SMN2 (0.42) ALDH1A1KMT2AMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 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
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 ALDH1A1 3286/4885KMT2A 2140/4885RAB9A 637/4885
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3A, IDH3B ALDH1A1 325/4885KMT2A 283/4885RAB9A 3112/4885

“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.