SCHEMBL10275601

SCHEMBL10275601

Nc1cc(=O)n2c(-c3ccc(F)cc3F)c(-c3ccc(F)cc3F)nc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.40
MAPK12 P53778 7/20 0.40
MAPK11 Q15759 7/20 0.40
MAPK14 Q16539 7/20 0.40
KCNH2 Q12809 1/20 0.40
KIT P10721 2/20 0.36
PDE7A Q13946 1/20 0.36
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
LDHA P00338 1/20 0.33
KMO O15229 1/20 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
SCHEMBL10313667 0.88 MEN1 (0.36) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10275937 0.86 LDHA (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10275476 0.86 ALOX5AP (0.34) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10275664 0.85 ADORA1 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10313668 0.85 MAPK14 (0.32) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10313670 0.85 MAPK14 (0.34) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10275347 0.85 ADORA1 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10276174 0.83 ABCC8 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10313660 0.78 ALDH1A1 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10313656 0.75 ALDH1A1 (0.44) MAPK13MAPK12MAPK11MAPK14KIT

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 MAPK13 1195/4885MAPK12 2155/4885MAPK11 1580/4885

“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.