SCHEMBL13249782

SCHEMBL13249782

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.40
▸ P2RX3 P56373 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ CSNK1E P49674 3/20 0.38
▸ DGAT2 Q96PD7 4/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ P2RX7 Q99572 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
SCHEMBL13249784 0.87 KMT2A (0.47) CNR2NPC1RAB9AMEN1KMT2A
SCHEMBL13249829 0.85 KMT2A (0.44) GRM5KMT2ALMNAP2RX7
SCHEMBL13249785 0.85 CYP2D6 (0.43) LMNAP2RX7
SCHEMBL13249769 0.84 PARP1 (0.48) P2RX3
SCHEMBL13249831 0.83 MTHFD2 (0.46) GRM5P2RX7
SCHEMBL13249933 0.83 KMT2A (0.37) MEN1KMT2ALMNAP2RX7
SCHEMBL13249832 0.83 TRPV1 (0.48) NPC1RAB9APDE10AKMT2ASMN1; SMN2
SCHEMBL13249856 0.82 PTGDR2 (0.38) CNR1CNR2KMT2ALMNAP2RX7
SCHEMBL13249920 0.82 ROCK2 (0.37) KMT2ALMNAP2RX7
SCHEMBL13249848 0.82 ALDH1A1 (0.46) CNR1CNR2GRM5LMNAHTT

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 CNR1 150/4885P2RX3 162/4885CNR2 132/4885

“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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