SCHEMBL13249786

SCHEMBL13249786

CCOC(=O)N1CCc2c(nc(C)n(C(c3ccccc3)c3ccccc3)c2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.42
WEE1 P30291 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL13249798 0.94 PPARG (0.41) TSHRTP53GAALMNAALDH1A1
SCHEMBL13249799 0.93 TP53 (0.40) TSHRTP53GAALMNAALDH1A1
SCHEMBL13250035 0.93 TSHR (0.48) TSHRTP53GAALMNAALDH1A1
SCHEMBL13249802 0.92 KDR (0.45) TP53GAAALDH1A1MAPTMEN1
SCHEMBL13249789 0.92 PPARG (0.42) TSHRTP53GAALMNAALDH1A1
SCHEMBL13328898 0.92 TSHR (0.45) TSHRTP53GAALMNAALDH1A1
SCHEMBL13249796 0.92 P2RY12 (0.39) TSHRTP53GAALMNASMN1; SMN2
SCHEMBL13249793 0.91 TP53 (0.38) TSHRTP53GAALMNAALDH1A1
SCHEMBL13249788 0.91 TP53 (0.38) TSHRTP53GAALMNAALDH1A1
SCHEMBL13249792 0.91 PPARG (0.40) TSHRTP53GAALMNAALDH1A1

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 TSHR 1056/4885TP53 4768/4885GAA 1215/4885

“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.