SCHEMBL13249846

SCHEMBL13249846

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)c1cccs1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KCNH2 Q12809 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL13249831 0.86 MTHFD2 (0.46) KCNH2
SCHEMBL13249871 0.85 HRH4 (0.47) L3MBTL1
SCHEMBL13249855 0.84 LMNA (0.44) ALDH1A1SMN1; SMN2TSHRHTTHSD17B10
SCHEMBL13249850 0.84 MTHFD2 (0.39) ALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL13249829 0.84 KMT2A (0.44) ALDH1A1CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL13249860 0.83 BCHE (0.50) ALDH1A1SMN1; SMN2L3MBTL1GAANPC1
SCHEMBL13249882 0.83 P2RX7 (0.52) —
SCHEMBL13249858 0.82 PRLHR (0.45) —
SCHEMBL13249822 0.82 P2RX7 (0.47) CYP2D6CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL13249862 0.82 P2RX7 (0.52) ALDH1A1HTT

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 ALDH1A1 973/4885CYP2D6 1612/4885CYP2C9 1278/4885

“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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