SCHEMBL2813764

SCHEMBL2813764

CC(=O)Oc1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3ccc(C(C)C)c(C)c3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 7/20 0.37
GAA P10253 3/20 0.37
NTRK1 P04629 1/20 0.37
SAE1 Q9UBE0 2/20 0.36
UBA2 Q9UBT2 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.35
NAMPT P43490 1/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2814139 0.88 KMT2A (0.44) GRIN1GRIN2BMAPTGAASAE1
SCHEMBL17957261 0.88 CCNC (0.42) CCNCCDK8GRIN1GRIN2BMAPT
SCHEMBL2813760 0.88 MAPT (0.40) CCNCCDK8GRIN1GRIN2BMAPT
SCHEMBL13133015 0.87 CCNC (0.41) CCNCCDK8MAPTGAANTRK1
SCHEMBL2814969 0.86 FLT3 (0.43) GRIN1GRIN2BMAPTGAANTRK1
SCHEMBL2814845 0.86 CA12 (0.43) CDK8GRIN1GRIN2BMAPTNTRK1
SCHEMBL2818220 0.85 SAE1 (0.42) GRIN1GRIN2BMAPTGAASAE1
SCHEMBL2816764 0.83 MAPT (0.48) GRIN1GRIN2BMAPTGAANTRK1
SCHEMBL2815632 0.82 KDR (0.46) CDK8MAPTNTRK1MEN1KMT2A
SCHEMBL2816797 0.82 SAE1 (0.49) GRIN1GRIN2BMAPTGAASAE1

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-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 CCNC 239/4885CDK8 766/4885GRIN1 1886/4885

“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.