SCHEMBL10275915

SCHEMBL10275915

Cc1nn2c(=O)c([N+](=O)[O-])c(-c3ccccc3)[nH]c2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.42
PDE2A O00408 4/20 0.41
SLC11A2 P49281 1/20 0.39
PDE5A O76074 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
TNKS O95271 1/20 0.35
WNT3A P56704 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL10313593 0.91 MAPT (0.41) PLATKMT2ANPC1ALDH1A1MAPT
SCHEMBL10276241 0.89 MAPK13 (0.42) PLATPDE2AKMT2AMAPK13RAF1
SCHEMBL10313494 0.89 HPRT1 (0.41) PLATSLC11A2MEN1KMT2ANPC1
SCHEMBL10275224 0.87 ARF6 (0.41) PLATPDE2ASLC11A2PDE5AMEN1
SCHEMBL27943291 0.85 PLAT (0.43) PLATPDE2ASLC11A2MAPK13RAF1
SCHEMBL10275547 0.85 MAPT (0.43) SLC11A2NPC1ALDH1A1MAPTRAB9A
SCHEMBL10276012 0.85 MAPT (0.42) MEN1KMT2AMAPK14NPC1ALDH1A1
SCHEMBL10275846 0.82 PSD (0.40) PLATPDE2APDE5AABCC8KCNJ11
SCHEMBL10275704 0.81 PDE2A (0.43) PLATPDE2ASLC11A2PDE5ATNKS
SCHEMBL10313581 0.79 HPRT1 (0.41) PLATMEN1KMT2ANPC1ALDH1A1

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 2 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

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 PLAT 2180/4885PDE2A 3531/4885SLC11A2 4127/4885

“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.