SCHEMBL22156325

SCHEMBL22156325

CC(CO)Cn1cc(C#N)c2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.44
KAT2B Q92831 1/20 0.40
STAT3 P40763 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
XDH P47989 2/20 0.36
IMPDH2 P12268 1/20 0.36
PRMT5 O14744 1/20 0.35
KRAS P01116 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PFKFB2 O60825 1/20 0.35
PFKFB1 P16118 1/20 0.35
PFKFB3 Q16875 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL22152193 0.85 SMN1; SMN2 (0.45) SMN1; SMN2GAASTAT3NPSR1POLB
SCHEMBL22153087 0.82 KAT2B (0.38) SMN1; SMN2GAAKAT2B
SCHEMBL22155667 0.81 SMN1; SMN2 (0.42) SMN1; SMN2GAASTAT3NPSR1POLB
SCHEMBL22153090 0.81 KAT2B (0.37) SMN1; SMN2GAAKAT2B
SCHEMBL22155669 0.81 KAT2B (0.37) SMN1; SMN2GAAKAT2B
SCHEMBL22152194 0.81 KAT2B (0.37) SMN1; SMN2GAAKAT2B
SCHEMBL10095347 0.79 SMN1; SMN2 (0.47) SMN1; SMN2GAASTAT3NPSR1POLB
SCHEMBL22152181 0.77 KDM1A (0.44) SMN1; SMN2GAASTAT3NPSR1KRAS
SCHEMBL22156316 0.77 KAT2B (0.45) GAAKAT2BMEN1KMT2A
SCHEMBL22122433 0.77 SMN1; SMN2 (0.49) SMN1; SMN2GAASTAT3NPSR1POLB

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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SMN1; SMN2 4348/4885GAA 3216/4885KAT2B 3000/4885

“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.