SCHEMBL10313670

SCHEMBL10313670

[C-]#[N+]c1ccc(-c2c(-c3ccc(F)cc3F)nc3[nH]c(N)cc(=O)n23)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.34
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
KCNH2 Q12809 1/20 0.34
TGFBR1 P36897 1/20 0.34
ADORA2A P29274 3/20 0.31
ADORA1 P30542 2/20 0.31
PDE7A Q13946 1/20 0.31
KIT P10721 1/20 0.31
ADORA2B P29275 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL10313668 0.92 MAPK14 (0.32) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10313659 0.89 ALDH1A1 (0.35) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10275601 0.85 MAPK13 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10275664 0.84 ADORA1 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10313655 0.81 MEN1 (0.41) TGFBR1DHODH
SCHEMBL10313657 0.81 LDHA (0.34) TGFBR1KITDHODH
SCHEMBL10313666 0.80 KDM1A (0.37) ADORA2AADORA1
SCHEMBL10313658 0.79 MEN1 (0.37) MAPK14MAPK13MAPK12MAPK11KIT
SCHEMBL10313667 0.78 MEN1 (0.36) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10313669 0.78 MAPT (0.36) ADORA2AADORA1

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 MAPK14 2663/4885MAPK13 1195/4885MAPK12 2155/4885

“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.