SCHEMBL13249920

SCHEMBL13249920

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ P2RX7 Q99572 3/20 0.35
▸ MTHFD2 P13995 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ USP9X Q93008 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RET P07949 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
SCHEMBL13249912 0.94 P2RX7 (0.36) ROCK2CYP3A4P2RX7KMT2A
SCHEMBL13249909 0.91 KCNH2 (0.39) CYP3A4P2RX7CCR5ALDH1A1TSHR
SCHEMBL13249856 0.89 PTGDR2 (0.38) ROCK2P2RX7MTHFD2LMNAKMT2A
SCHEMBL13249908 0.89 MTHFD2 (0.33) P2RX7MTHFD2KMT2ACCR5ALDH1A1
SCHEMBL13249829 0.88 KMT2A (0.44) CYP3A4P2RX7LMNAKMT2ACCR5
SCHEMBL13249922 0.88 KMT2A (0.41) P2RX7MTHFD2LMNAKMT2ACCR5
SCHEMBL13249907 0.87 RAB9A (0.37) P2RX7MTHFD2LMNAKMT2ACCR5
SCHEMBL13249831 0.86 MTHFD2 (0.46) P2RX7MTHFD2
SCHEMBL13249785 0.85 CYP2D6 (0.43) CYP3A4P2RX7MTHFD2LMNACCR5
SCHEMBL13249784 0.85 KMT2A (0.47) CYP3A4P2RX7MTHFD2LMNAKMT2A

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 ROCK2 2597/4885CYP3A4 2495/4885P2RX7 105/4885

“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.

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