SCHEMBL867158

SCHEMBL867158

Brc1ccc2c(N[C@H]3CCc4ccccc43)ncnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
AURKA O14965 3/20 0.45
RPS6KB1 P23443 3/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDPK1 O15530 1/20 0.41
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
CDK1 P06493 1/20 0.40
FADS1 O60427 1/20 0.40
AURKB Q96GD4 1/20 0.39
IGF1R P08069 1/20 0.39
CACNA2D1 P54289 1/20 0.38
GBA1 P04062 1/20 0.38
NAE1 Q13564 1/20 0.38
UBA3 Q8TBC4 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL10149365 0.77 MEN1 (0.41) EGFRAURKARPS6KB1MEN1KMT2A
SCHEMBL10149373 0.76 EGFR (0.39) EGFRAURKARPS6KB1MEN1KMT2A
SCHEMBL10149363 0.75 MEN1 (0.41) EGFRAURKARPS6KB1MEN1KMT2A
SCHEMBL10184236 0.75 AURKA (0.38) EGFRAURKARPS6KB1MEN1KMT2A
SCHEMBL866996 0.71 EGFR (0.38) EGFRAURKARPS6KB1MEN1KMT2A
SCHEMBL9038194 0.70 EGFR (0.67) EGFRAURKARPS6KB1PDPK1FADS1
SCHEMBL866863 0.70 AURKA (0.52) EGFRAURKARPS6KB1PDPK1CDK1
SCHEMBL865556 0.70 EGFR (0.41) EGFRAURKARPS6KB1MEN1KMT2A
SCHEMBL865555 0.70 EGFR (0.41) EGFRAURKARPS6KB1MEN1KMT2A
SCHEMBL866864 0.70 AURKA (0.52) EGFRAURKARPS6KB1PDPK1CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 EGFR 3897/4885AURKA 3108/4885RPS6KB1 2781/4885

“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.