SCHEMBL7076844

SCHEMBL7076844

CC(C)(Nc1cccc(C#N)c1)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
KDR P35968 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
NAMPT P43490 3/20 0.42
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
MAPK14 Q16539 2/20 0.41
AR P10275 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
CTPS1 P17812 1/20 0.40

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
SCHEMBL7084412 0.89 F10 (0.45) F10PDK1PDK2PDK3PDK4
SCHEMBL6989121 0.81 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6989257 0.80 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL7082152 0.78 F10 (0.44) F10KDRMAPTMEN1ALDH1A1
SCHEMBL7078610 0.77 F10 (0.43) F10KDRMAPTMEN1ALDH1A1
SCHEMBL7092565 0.77 F10 (0.45) F10KDRMAPTMEN1ALDH1A1
SCHEMBL6808035 0.77 GAA (0.56) F10MAPTMEN1ALDH1A1KMT2A
SCHEMBL7454775 0.77 F10 (0.56) F10MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7081758 0.76 PRSS1 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL7080721 0.76 KDR (0.44) F10KDRMAPTMEN1ALDH1A1

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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 F10 5/4885PDK1 440/4885PDK2 134/4885

“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.