SCHEMBL10323975

SCHEMBL10323975

COc1ccc(CN2C(=O)C(F)(F)C2c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HSD11B1 P28845 2/20 0.50
POLB P06746 1/20 0.47
GSK3B P49841 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
SOAT1 P35610 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CMA1 P23946 1/20 0.44
KDM1A O60341 1/20 0.44
KCNA5 P22460 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
SCHEMBL22289833 0.76 NPSR1 (0.51) MEN1KMT2AHSD11B1POLBMAPT
SCHEMBL23975119 0.74 POLB (0.70) MEN1KMT2AHSD11B1POLBMAPT
SCHEMBL26303389 0.73 MEN1 (0.53) MEN1KMT2APOLBGSK3BSOAT1
SCHEMBL10932938 0.73 MEN1 (0.53) MEN1KMT2AGSK3BSOAT1ALDH1A1
SCHEMBL31435438 0.73 MEN1 (0.53) MEN1KMT2APOLBGSK3BSOAT1
SCHEMBL16796874 0.71 HCRTR2 (0.64) MEN1KMT2ASIGMAR1
SCHEMBL7544337 0.71 POLB (0.40) MEN1KMT2APOLBGSK3BALDH1A1
SCHEMBL7544343 0.71 POLB (0.40) MEN1KMT2APOLBGSK3BALDH1A1
SCHEMBL430661 0.69 CMA1 (0.66) MEN1KMT2AGSK3BMAPTALDH1A1
SCHEMBL17360678 0.69 EHMT2 (0.61) MEN1KMT2AGSK3BMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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 (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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD MEN1 1193/4885KMT2A 2283/4885HSD11B1 2832/4885

“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.