SCHEMBL13249802

SCHEMBL13249802

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
DHFR P00374 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR2 Q9Y5Y4 10/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL13328919 0.92 KDR (0.47) KDRTMEM97SIGMAR1DHFRPTGDR2
SCHEMBL13249786 0.92 TSHR (0.45) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL13249807 0.91 MGLL (0.40) KDRTMEM97SIGMAR1DHFRALDH1A1
SCHEMBL13249950 0.89 PARP1 (0.39) KDRTMEM97SIGMAR1DHFRPTGDR2
SCHEMBL13249789 0.89 PPARG (0.42) ALDH1A1GAAPTGDR2TP53
SCHEMBL13249798 0.89 PPARG (0.41) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL13249809 0.88 TP53 (0.48) ALDH1A1GAAMAPTPTGDR2TP53
SCHEMBL13249793 0.88 TP53 (0.38) ALDH1A1GAAPTGDR2TP53
SCHEMBL13249799 0.88 TP53 (0.40) ALDH1A1GAAPTGDR2TP53
SCHEMBL13249792 0.88 PPARG (0.40) KDRMEN1ALDH1A1GAAMAPT

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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
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 KDR 669/4885TMEM97 606/4885SIGMAR1 1713/4885

“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.