SCHEMBL2814969

SCHEMBL2814969

CC(=O)Oc1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3cccc(C(C)C)c3)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
CA2 P00918 1/20 0.42
KDR P35968 6/20 0.41
PDGFRB P09619 1/20 0.41
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
EPHB4 P54760 2/20 0.38
TEK Q02763 2/20 0.38
MAPK14 Q16539 2/20 0.37
TNNI3K Q59H18 2/20 0.37
NTRK1 P04629 2/20 0.37
BRAF P15056 2/20 0.37
MEN1 O00255 2/20 0.36

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 0.90 KMT2A (0.44) CA2SAE1UBA2GRIN1GRIN2B
SCHEMBL2814963 0.88 FLT3 (0.44) FLT3CA2KDRPDGFRBSAE1
SCHEMBL2815632 0.88 KDR (0.46) CA2KDRMAPTSMN1; SMN2LMNA
SCHEMBL13133010 0.87 CA2 (0.44) FLT3CA2KDRPDGFRBSAE1
SCHEMBL2813764 0.86 CCNC (0.39) SAE1UBA2GRIN1GRIN2BMAPT
SCHEMBL2816764 0.86 MAPT (0.48) GRIN1GRIN2BMAPTSMN1; SMN2GAA
SCHEMBL2814090 0.86 LMNA (0.43) CA2KDRSAE1UBA2GRIN1
SCHEMBL2816047 0.86 SAE1 (0.39) KDRSAE1UBA2GRIN1GRIN2B
SCHEMBL2814845 0.86 CA12 (0.43) CA2SAE1UBA2GRIN1GRIN2B
SCHEMBL2818220 0.84 SAE1 (0.42) CA2KDRSAE1UBA2GRIN1

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 FLT3 186/4885CA2 2001/4885KDR 1879/4885

“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.