SCHEMBL2881316

SCHEMBL2881316

CC(C)(C)OC(=O)Nc1ncc(C(O)CNc2ncnc3ccsc23)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.47
AURKB Q96GD4 13/20 0.47
NTRK2 Q16620 2/20 0.43
DDR2 Q16832 2/20 0.43
PLK4 O00444 1/20 0.43
ACOX3 O15254 1/20 0.43
MAPK13 O15264 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
ROS1 P08922 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
RPS6KB1 P23443 1/20 0.43
EPHA2 P29317 1/20 0.43
KDR P35968 1/20 0.43
FRK P42685 1/20 0.43

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
SCHEMBL2876158 0.83 AURKA (0.67) AURKAAURKBNTRK2DDR2PLK4
SCHEMBL13672054 0.81 AURKA (0.71) AURKAAURKBNTRK2DDR2PLK4
SCHEMBL2878400 0.74 CCNE1 (0.44) CDK1
SCHEMBL31242783 0.72 CCNE1 (0.43) CDK1
SCHEMBL12027281 0.72 CCNE1 (0.51) CDK1
SCHEMBL29148603 0.71 CCNE1 (0.41) CDK1
SCHEMBL12651261 0.70 PDE4A (0.42) AURKAAURKBNTRK2DDR2PLK4
SCHEMBL17998701 0.69 CDK2 (0.61) CDK1
SCHEMBL28417564 0.69 CDK2 (0.55) CDK1
SCHEMBL13672095 0.69 AURKA (0.71) AURKAAURKBNTRK2DDR2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768984-B1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2010-10-20 EP disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2006-02-16 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 (2 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-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC AURKA 1/4885AURKB 2/4885NTRK2 3853/4885
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors AURKA, AURKB, AURKC AURKA 1/4885AURKB 2/4885NTRK2 3813/4885

“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.