SCHEMBL6521787

SCHEMBL6521787

CCN1CCCC1COc1cc(C(N)=O)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.46
AURKA O14965 2/20 0.42
RPS6KB1 P23443 2/20 0.42
CHRNB1 P11230 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNB3 Q05901 2/20 0.41
CNR2 P34972 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
TACR1 P25103 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKB Q96GD4 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
IL1B P01584 1/20 0.38

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
SCHEMBL6521793 0.83 CHRNB1 (0.45) VNN1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3159343 0.73 LTA4H (0.51) CHRNB4CHRNA3
SCHEMBL13808895 0.72 CHRNB1 (0.47) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6224599 0.72 CHRNB4 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3147108 0.72 CHRNB4 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL31144917 0.71 PLA2G2A (0.47)
SCHEMBL12130332 0.71 LTA4H (0.52) AURKARPS6KB1KMT2A
SCHEMBL5259527 0.70 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL450027 0.69 CHRNB4 (0.60) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL447049 0.69 CHRNB4 (0.60) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2011-03-03 US claimed
US-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2011-03-03 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-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof BMX, FRK, FYN VNN1 4503/4885AURKA 53/4885RPS6KB1 504/4885

“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.