SCHEMBL13249922

SCHEMBL13249922

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ P2RX7 Q99572 3/20 0.34
▸ MTHFD2 P13995 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RET P07949 1/20 0.32
▸ ACE P12821 1/20 0.32

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
SCHEMBL13249856 0.90 PTGDR2 (0.38) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL13249920 0.88 ROCK2 (0.37) KMT2ACCR5P2RX7MTHFD2LMNA
SCHEMBL13249829 0.86 KMT2A (0.44) KMT2ACCR5P2RX7LMNAALDH1A1
SCHEMBL13249868 0.85 HPGD (0.44) KMT2AMEN1P2RX7LMNAALDH1A1
SCHEMBL13249895 0.85 CCR5 (0.36) KMT2AMEN1CCR5P2RX7MTHFD2
SCHEMBL13249872 0.85 HSD17B10 (0.45) HCRTR2HSD17B10ACE
SCHEMBL13249907 0.85 RAB9A (0.37) KMT2ACCR5P2RX7MTHFD2LMNA
SCHEMBL13249831 0.84 MTHFD2 (0.46) P2RX7MTHFD2
SCHEMBL13249783 0.84 PTGDR2 (0.35) CCR5P2RX7MTHFD2LMNA
SCHEMBL13249785 0.83 CYP2D6 (0.43) CCR5P2RX7MTHFD2LMNATSHR

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 3247/4885HDAC3 2300/4885

“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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