SCHEMBL13249840

SCHEMBL13249840

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)c1ccoc1)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 3/20 0.39
▸ ABCB1 P08183 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ MTOR P42345 2/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ MAOB P27338 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
SCHEMBL13249831 0.89 MTHFD2 (0.46) MTHFD2GRM5P2RX7MTORMAOB
SCHEMBL14047859 0.85 MTHFD2 (0.45) MTHFD2GRM5P2RX7MTORMAOB
SCHEMBL13249858 0.85 PRLHR (0.45) MTHFD2GRM5P2RX7
SCHEMBL13249845 0.84 CYP3A4 (0.46) ALDH1A1KDM4EMEN1KMT2AGRM5
SCHEMBL13249874 0.83 MTHFD2 (0.43) MTHFD2ALDH1A1HPGDKMT2AGRM5
SCHEMBL13249859 0.83 USP2 (0.49) MTHFD2ALDH1A1HPGDMEN1KMT2A
SCHEMBL13249850 0.83 MTHFD2 (0.39) MTHFD2ALDH1A1MEN1KMT2AGRM5
SCHEMBL13249829 0.83 KMT2A (0.44) ALDH1A1KMT2AGRM5P2RX7
SCHEMBL13250445 0.82 P2RX7 (0.45) MTHFD2P2RX7
SCHEMBL13249851 0.82 GRM5 (0.44) MTHFD2GRM5

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 MTHFD2 1349/4885ABCB1 1517/4885ALDH1A1 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.

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