SCHEMBL2816797

SCHEMBL2816797

CC(=O)Oc1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3ccc(C#N)cc3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 2/20 0.49
UBA2 Q9UBT2 2/20 0.49
KDR P35968 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
IL18 Q14116 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.39

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
SCHEMBL2818220 0.89 SAE1 (0.42) SAE1UBA2KDRMAPTKDM4E
SCHEMBL2816790 0.87 SAE1 (0.49) SAE1UBA2KDRLMNAMAPT
SCHEMBL17957246 0.86 SAE1 (0.55) SAE1UBA2KDRLMNAMAPT
SCHEMBL2814139 0.86 KMT2A (0.44) SAE1UBA2LMNAMAPTPKM
SCHEMBL2814845 0.85 CA12 (0.43) SAE1UBA2LMNAMAPTMEN1
SCHEMBL2815487 0.84 KMT2A (0.45) LMNAMAPTPOLBMEN1MAPK1
SCHEMBL2816748 0.83 PDE2A (0.43) SAE1UBA2KDRMAPTPKM
SCHEMBL2813764 0.82 CCNC (0.39) SAE1UBA2LMNAMAPTPOLB
SCHEMBL2815632 0.82 KDR (0.46) KDRLMNAMAPTMEN1RAB9A
SCHEMBL2814969 0.80 FLT3 (0.43) SAE1UBA2KDRLMNAMAPT

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 1 patent. 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

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 SAE1 902/4885UBA2 1374/4885KDR 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.