SCHEMBL13249792

SCHEMBL13249792

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
TP53 P04637 3/20 0.38
ALDH1A1 P00352 4/20 0.37
WEE1 P30291 1/20 0.37
P2RX3 P56373 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
GAA P10253 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL13328912 0.93 MTHFD2 (0.41) PPARGTP53ALDH1A1WEE1LMNA
SCHEMBL13249808 0.92 TP53 (0.39) TP53ALDH1A1WEE1LMNATSHR
SCHEMBL13249786 0.91 TSHR (0.45) TP53ALDH1A1WEE1LMNATSHR
SCHEMBL13249944 0.90 ALDH1A1 (0.38) TP53ALDH1A1WEE1LMNATSHR
SCHEMBL13249789 0.88 PPARG (0.42) PPARGTP53ALDH1A1WEE1LMNA
SCHEMBL13249798 0.88 PPARG (0.41) PPARGTP53ALDH1A1WEE1LMNA
SCHEMBL13249802 0.88 KDR (0.45) TP53ALDH1A1GAAKDRMAPT
SCHEMBL13249769 0.87 PARP1 (0.48) P2RX3PARP1TNKS2PARP2MAPT
SCHEMBL13249793 0.87 TP53 (0.38) PPARGTP53ALDH1A1WEE1LMNA
SCHEMBL13249799 0.87 TP53 (0.40) PPARGTP53ALDH1A1WEE1LMNA

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 PPARG 22/4885TP53 4768/4885ALDH1A1 973/4885

“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.