SCHEMBL10276495

SCHEMBL10276495

CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(-c3ccc(F)cc3F)c(C)nn2c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.40
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
SLC34A1 Q06495 3/20 0.38
GPR119 Q8TDV5 2/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PLAT P00750 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10276317 0.95 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTGCGRMAPK14
SCHEMBL10275932 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTGCGRMAPK14
SCHEMBL10313549 0.89 MAPT (0.45) ALDH1A1L3MBTL1MAPTGCGRMAPK14
SCHEMBL10275889 0.89 PLAT (0.41) ALDH1A1L3MBTL1GCGRMAPK14SLC34A1
SCHEMBL10276336 0.89 POLB (0.45) ALDH1A1L3MBTL1MAPTGCGRMAPK14
SCHEMBL10275271 0.87 SLC34A1 (0.42) ALDH1A1L3MBTL1MAPTGCGRMAPK14
SCHEMBL10275463 0.87 GPR119 (0.44) ALDH1A1L3MBTL1MAPTSLC34A1GPR119
SCHEMBL10275273 0.86 PLAT (0.40) MAPTKDM4EPLAT
SCHEMBL10313537 0.85 MAPT (0.46) ALDH1A1L3MBTL1MAPTGCGRMAPK14
SCHEMBL10275179 0.85 PLAT (0.40) ALDH1A1L3MBTL1MAPTSLC34A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 ALDH1A1 572/4885L3MBTL1 4365/4885MAPT 750/4885

“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.