SCHEMBL13249901

SCHEMBL13249901

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ LDHA P00338 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PRLHR P49683 3/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ SERPINE1 P05121 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13249890 0.91 NPC1 (0.40) NPC1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL13249891 0.89 CYP3A4 (0.46) NPC1MEN1KMT2ALMNAHTT
SCHEMBL16328070 0.88 NPC1 (0.38) NPC1MEN1KMT2ALMNAHTT
SCHEMBL13249873 0.88 MEN1 (0.45) MEN1KMT2AUSP2LDHAPRLHR
SCHEMBL13249789 0.88 PPARG (0.42) LMNAPTGDR2ALDH1A1
SCHEMBL13249900 0.87 PTGDR2 (0.38) NPC1MEN1KMT2AHTTCYP3A4
SCHEMBL13249857 0.87 PARP1 (0.36) NPC1LMNAHTTUSP2CCR5
SCHEMBL13249898 0.86 CACNA1G (0.37) LMNAHTTCCR5ALDH1A1
SCHEMBL13249834 0.84 ALDH1A1 (0.42) MEN1KMT2ALMNAHTTUSP2
SCHEMBL13249847 0.84 NPC1 (0.42) NPC1MEN1KMT2ALMNAPTGDR2

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 NPC1 875/4885MEN1 3247/4885KMT2A 2108/4885

“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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