SCHEMBL866863

SCHEMBL866863

Brc1csc2c(N[C@H]3CCc4ccccc43)ncnc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.52
RPS6KB1 P23443 3/20 0.52
EGFR P00533 1/20 0.48
AURKB Q96GD4 1/20 0.45
NAE1 Q13564 3/20 0.41
UBA3 Q8TBC4 3/20 0.41
CDK1 P06493 2/20 0.41
PDPK1 O15530 1/20 0.40
IGF1R P08069 1/20 0.40
GBA1 P04062 1/20 0.40
MAPT P10636 1/20 0.39
FADS1 O60427 1/20 0.39
UBA6 A0AVT1 1/20 0.38
ATG7 O95352 1/20 0.38
UBA7 P41226 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
LMNA P02545 1/20 0.37
SLC18A3 Q16572 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
SCHEMBL866864 1.00 AURKA (0.52) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL10149399 0.77 NAE1 (0.47) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL10149398 0.76 AURKA (0.44) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL12392401 0.74 EGFR (0.51) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL866619 0.74 AURKA (0.41) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL10185763 0.73 NAE1 (0.53) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL866432 0.73 NAE1 (0.49) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL3345058 0.73 LMNA (0.53) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL22524329 0.73 AURKA (0.56) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL22524331 0.73 AURKA (0.56) AURKARPS6KB1EGFRAURKBNAE1

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 AURKA 3108/4885RPS6KB1 2781/4885EGFR 3897/4885

“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.