SCHEMBL13249853

SCHEMBL13249853

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)c1ccccn1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ P2RX7 Q99572 3/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MTHFD2 P13995 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ NR2E1 Q9Y466 1/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35

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 0.87 MTHFD2 (0.46) P2RX7MTHFD2
SCHEMBL13249829 0.84 KMT2A (0.44) ALDH1A1P2RX7CYP1A2CYP3A4CYP2D6
SCHEMBL13249850 0.83 MTHFD2 (0.39) ALDH1A1SMN1; SMN2P2RX7KDRMTHFD2
SCHEMBL13249822 0.82 P2RX7 (0.47) L3MBTL1P2RX7GAAMTHFD2CYP3A4
SCHEMBL14047859 0.82 MTHFD2 (0.45) P2RX7MTHFD2
SCHEMBL13249858 0.82 PRLHR (0.45) P2RX7MTHFD2
SCHEMBL13249862 0.82 P2RX7 (0.52) ALDH1A1P2RX7
SCHEMBL13249856 0.82 PTGDR2 (0.38) P2RX7MTHFD2
SCHEMBL13249784 0.82 KMT2A (0.47) P2RX7MTHFD2CYP3A4
SCHEMBL13249785 0.82 CYP2D6 (0.43) P2RX7MTHFD2CYP1A2CYP3A4CYP2D6

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 3 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
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 — — WO 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 L3MBTL1 4263/4885ALDH1A1 973/4885SMN1; SMN2 2980/4885

“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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