SCHEMBL10275224

SCHEMBL10275224

CCc1nn2c(=O)c([N+](=O)[O-])c(-c3ccccc3)[nH]c2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 3/20 0.41
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
SLC11A2 P49281 1/20 0.35
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
PDE2A O00408 2/20 0.34
MAT2A P31153 1/20 0.34
PDE5A O76074 1/20 0.34
TNKS O95271 1/20 0.34
WNT3A P56704 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PLAT P00750 1/20 0.34

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
SCHEMBL10313572 0.88 HPRT1 (0.39) ARF6MAT2APIM1PIM3PLAT
SCHEMBL10275915 0.87 PLAT (0.42) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL10276241 0.86 MAPK13 (0.42) ARF6MAPK13RAF1MAPK12MAPK11
SCHEMBL10276208 0.80 ARF6 (0.38) ARF6ABCC8KCNJ11PIM1PIM3
SCHEMBL10313593 0.77 MAPT (0.41) MAT2APLATKMT2A
SCHEMBL10313494 0.76 HPRT1 (0.41) SLC11A2MAT2APLATMEN1KMT2A
SCHEMBL10313485 0.75 SLC11A2 (0.36) ARF6SLC11A2HEXAHEXBPDE2A
SCHEMBL10313581 0.75 HPRT1 (0.41) MAT2APLATMEN1KMT2A
SCHEMBL10275302 0.74 KIF11 (0.40) ARF6SLC11A2HEXAHEXBPDE2A
SCHEMBL10275846 0.73 PSD (0.40) ARF6ABCC8KCNJ11PDE2APDE5A

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 claimed

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 ARF6 3355/4885MAPK13 1195/4885RAF1 1455/4885

“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.