SCHEMBL10313667

SCHEMBL10313667

Cc1ccc(-c2nc3[nH]c(N)cc(=O)n3c2-c2ccc(F)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
MAPK14 Q16539 4/20 0.36
AR P10275 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
ADORA2A P29274 4/20 0.35
DHODH Q02127 2/20 0.35
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK11 Q15759 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL10313656 0.88 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10275601 0.88 MAPK13 (0.40) MAPK14ADORA2AADORA1MAPK13MAPK12
SCHEMBL10275476 0.88 ALOX5AP (0.34) MAPK14DHODHMAPK13MAPK12KCNH2
SCHEMBL10275347 0.87 ADORA1 (0.40) MAPK14ARADORA2AADORA1MAPK13
SCHEMBL10313668 0.87 MAPK14 (0.32) MAPK14PGRNR3C2ADORA2ADHODH
SCHEMBL10313660 0.81 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10275664 0.78 ADORA1 (0.40) MAPK14ARADORA2AADORA1MAPK13
SCHEMBL10313670 0.78 MAPK14 (0.34) MAPK14ADORA2ADHODHADORA2BADORA1
SCHEMBL10313655 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10313666 0.76 KDM1A (0.37) ALDH1A1HPGDADORA2AADORA1SMN1; SMN2

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 1 patent. 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 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 MEN1 4229/4885KMT2A 4649/4885ALDH1A1 572/4885

“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.