SCHEMBL13249850

SCHEMBL13249850

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)c1ccsc1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 3/20 0.39
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ P2RX7 Q99572 5/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ GRM5 P41594 3/20 0.35
▸ MAOB P27338 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MTOR P42345 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) MTHFD2P2RX7GRM5MAOBMTOR
SCHEMBL14047859 0.85 MTHFD2 (0.45) MTHFD2P2RX7GRM5MAOBMTOR
SCHEMBL13249858 0.85 PRLHR (0.45) MTHFD2P2RX7GRM5
SCHEMBL13249846 0.84 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL13249874 0.83 MTHFD2 (0.43) MTHFD2P2RX7GRM5MAOBALDH1A1
SCHEMBL13249840 0.83 MTHFD2 (0.39) MTHFD2P2RX7NAMPTGRM5MAOB
SCHEMBL13249859 0.83 USP2 (0.49) MTHFD2GRM5MEN1ALDH1A1LMNA
SCHEMBL13249829 0.83 KMT2A (0.44) P2RX7GRM5ALDH1A1LMNAMAPT
SCHEMBL13249853 0.83 L3MBTL1 (0.43) MTHFD2P2RX7ALDH1A1SMN1; SMN2KDR
SCHEMBL13250445 0.82 P2RX7 (0.45) MTHFD2P2RX7

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 1349/4885CHRM2 2419/4885CHRM3 1334/4885

“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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