SCHEMBL13249807

SCHEMBL13249807

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
KDR P35968 1/20 0.39
CACNA1G O43497 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13328953 0.93 MGLL (0.40) MGLLPTGDR2KDRTMEM97SIGMAR1
SCHEMBL13249802 0.91 KDR (0.45) PTGDR2KDRTMEM97SIGMAR1DHFR
SCHEMBL13249803 0.87 MGLL (0.56) MGLL
SCHEMBL13249786 0.86 TSHR (0.45) ALDH1A1HSD17B10
SCHEMBL13249950 0.85 PARP1 (0.39) PTGDR2KDRTMEM97SIGMAR1DHFR
SCHEMBL13328919 0.84 KDR (0.47) PTGDR2KDRTMEM97SIGMAR1DHFR
SCHEMBL13249779 0.83 CCR2 (0.44) SIGMAR1ALDH1A1
SCHEMBL13249798 0.82 PPARG (0.41) ALDH1A1HSD17B10
SCHEMBL13249789 0.82 PPARG (0.42) PTGDR2ALDH1A1
SCHEMBL13249809 0.82 TP53 (0.48) PTGDR2ALDH1A1

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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 MGLL 882/4885PTGDR2 73/4885KDR 669/4885

“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.