SCHEMBL13249774

SCHEMBL13249774

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(Cc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
CLPP Q16740 9/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADORA2A P29274 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
C5AR1 P21730 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL13249817 0.95 CLPP (0.48) PARP1TNKS2PARP2KDM4EALDH1A1
SCHEMBL13249777 0.94 CLPP (0.46) PARP1TNKS2PARP2KDM4EALDH1A1
SCHEMBL13249835 0.94 CLPP (0.46) PARP1TNKS2PARP2KDM4EALDH1A1
SCHEMBL13328799 0.91 CYP1A2 (0.53) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL13249770 0.90 CLPP (0.46) PARP1TNKS2PARP2KDM4EALDH1A1
SCHEMBL13249775 0.90 CCR2 (0.45) PARP1TNKS2PARP2KDM4EALDH1A1
SCHEMBL13249773 0.90 CLPP (0.49) PARP1TNKS2PARP2KDM4EALDH1A1
SCHEMBL13249826 0.90 MAPT (0.41) PARP1TNKS2PARP2KDM4EALDH1A1
SCHEMBL13249779 0.89 CCR2 (0.44) KDM4EALDH1A1MEN1KMT2ADRD2
SCHEMBL13249818 0.89 PARP1 (0.38) PARP1TNKS2PARP2KDM4EALDH1A1

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 PARP1 995/4885TNKS2 2045/4885PARP2 1325/4885

“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.