SCHEMBL13249783

SCHEMBL13249783

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.35
▸ ABHD6 Q9BV23 3/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ TP53 P04637 3/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ MTHFD2 P13995 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRM1 Q13255 1/20 0.33

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
SCHEMBL13328838 0.92 MTHFD2 (0.42) PTGDR2CCR5MTHFD2LMNA
SCHEMBL13249785 0.90 CYP2D6 (0.43) PARP1TNKS2PARP2TP53CCR5
SCHEMBL13249786 0.89 TSHR (0.45) TP53LMNA
SCHEMBL13250083 0.88 ABHD6 (0.49) ABHD6
SCHEMBL13250420 0.88 CYP2D6 (0.37) CCR5
SCHEMBL13249982 0.88 CCR5 (0.35) ABHD6PARP1TNKS2PARP2TP53
SCHEMBL13249795 0.88 MGLL (0.47) —
SCHEMBL13249789 0.87 PPARG (0.42) PTGDR2TP53LMNA
SCHEMBL13249769 0.87 PARP1 (0.48) PARP1TNKS2PARP2
SCHEMBL13249829 0.86 KMT2A (0.44) TP53CCR5P2RX7LMNAGRM5

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 PTGDR2 73/4885ABHD6 1579/4885PARP1 995/4885

“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.

Send feedback