SCHEMBL13249808

SCHEMBL13249808

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.36
WEE1 P30291 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CCR5 P51681 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL13328941 0.93 MTHFD2 (0.41) TP53ALDH1A1LMNAGAATSHR
SCHEMBL13249827 0.92 TP53 (0.36) TP53ALDH1A1LMNAGAATSHR
SCHEMBL13249792 0.92 PPARG (0.40) TP53ALDH1A1LMNAGAATSHR
SCHEMBL13250039 0.92 GAA (0.37) TP53ALDH1A1LMNAGAATSHR
SCHEMBL13249786 0.90 TSHR (0.45) TP53ALDH1A1LMNAGAATSHR
SCHEMBL13249944 0.89 ALDH1A1 (0.38) TP53ALDH1A1LMNAGAATSHR
SCHEMBL13249816 0.87 PARP1 (0.41) TP53LMNAMAPTMEN1KMT2A
SCHEMBL13249798 0.87 PPARG (0.41) TP53ALDH1A1LMNAGAATSHR
SCHEMBL13249802 0.87 KDR (0.45) TP53ALDH1A1GAAMAPTMEN1
SCHEMBL13249789 0.87 PPARG (0.42) TP53ALDH1A1LMNAGAATSHR

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 TP53 4768/4885ALDH1A1 973/4885LMNA 3496/4885

“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.