SCHEMBL13249831

SCHEMBL13249831

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 4/20 0.46
▸ MAOB P27338 1/20 0.44
▸ GRM5 P41594 4/20 0.42
▸ MTOR P42345 3/20 0.40
▸ P2RX7 Q99572 3/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL13249858 0.93 PRLHR (0.45) MTHFD2GRM5P2RX7
SCHEMBL14047859 0.93 MTHFD2 (0.45) MTHFD2MAOBGRM5MTORP2RX7
SCHEMBL13249859 0.91 USP2 (0.49) MTHFD2GRM5CDK4CCND1DRD4
SCHEMBL13249874 0.91 MTHFD2 (0.43) MTHFD2MAOBGRM5MTORP2RX7
SCHEMBL13249851 0.90 GRM5 (0.44) MTHFD2GRM5
SCHEMBL13250445 0.90 P2RX7 (0.45) MTHFD2P2RX7
SCHEMBL13249840 0.89 MTHFD2 (0.39) MTHFD2MAOBGRM5MTORP2RX7
SCHEMBL13249850 0.89 MTHFD2 (0.39) MTHFD2MAOBGRM5MTORP2RX7
SCHEMBL13249829 0.89 KMT2A (0.44) GRM5P2RX7
SCHEMBL13249864 0.89 GRM5 (0.49) GRM5CDK4CCND1DRD4

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 1349/4885MAOB 1740/4885GRM5 34/4885

“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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