SCHEMBL13249784

SCHEMBL13249784

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ RIPK1 Q13546 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PDK2 Q15119 2/20 0.35
▸ P2RX7 Q99572 3/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ MTHFD2 P13995 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PARP2 Q9UGN5 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
SCHEMBL13328844 0.91 MEN1 (0.41) KMT2AMEN1RIPK1KCNH2CNR2
SCHEMBL13249933 0.90 KMT2A (0.37) KMT2AMEN1PDK2P2RX7PARP1
SCHEMBL13249829 0.88 KMT2A (0.44) KMT2AP2RX7CYP3A4LMNA
SCHEMBL13249782 0.87 CNR1 (0.40) KMT2AMEN1CNR2P2RX7NPC1
SCHEMBL13249769 0.87 PARP1 (0.48) PARP1TNKS2PARP2
SCHEMBL13249921 0.86 FNTA (0.36) KMT2AMEN1KCNH2PDK2P2RX7
SCHEMBL13249831 0.86 MTHFD2 (0.46) KCNH2P2RX7MTHFD2
SCHEMBL13249856 0.85 PTGDR2 (0.38) KMT2ACNR2P2RX7MTHFD2LMNA
SCHEMBL13249920 0.85 ROCK2 (0.37) KMT2AP2RX7CYP3A4MTHFD2LMNA
SCHEMBL13249785 0.85 CYP2D6 (0.43) KCNH2P2RX7PARP1CYP3A4MTHFD2

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 KMT2A 2108/4885MEN1 3247/4885RIPK1 2277/4885

“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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