SCHEMBL4594619

SCHEMBL4594619

COc1cc2c(Nc3ncc(CCNC(=O)c4ccccc4)s3)ncnc2cc1OCCCN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.64
AURKB Q96GD4 6/20 0.64
KDR P35968 7/20 0.62
EGFR P00533 5/20 0.62
SRC P12931 2/20 0.61
ROCK2 O75116 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
RET P07949 1/20 0.61
MET P08581 1/20 0.61
MAPT P10636 1/20 0.61
PDGFRA P16234 1/20 0.61
LTK P29376 1/20 0.61
TTK P33981 1/20 0.61
MAP2K2 P36507 1/20 0.61
MAP2K1 Q02750 1/20 0.61
BTK Q06187 1/20 0.61
TYRO3 Q06418 1/20 0.61
TNK2 Q07912 1/20 0.61

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
SCHEMBL4593641 0.93 AURKA (0.75) AURKAAURKBKDREGFRSRC
SCHEMBL4594617 0.80 AURKA (0.70) AURKAAURKBKDREGFRSRC
SCHEMBL5174881 0.80 AURKB (0.75) AURKAAURKBKDREGFRSRC
SCHEMBL3578284 0.77 KDR (0.98) AURKAAURKBKDREGFRSRC
SCHEMBL5025330 0.77 AURKA (0.81) AURKAAURKBKDREGFRSRC
SCHEMBL597105 0.76 EGFR (1.00) AURKAAURKBKDREGFRSRC
SCHEMBL29377224 0.76 EGFR (1.00) AURKAAURKBKDREGFRSRC
SCHEMBL3948578 0.76 EGFR (0.78) AURKAAURKBKDREGFRSRC
SCHEMBL6696102 0.74 KDR (0.72) AURKAAURKBKDREGFRSRC
SCHEMBL2195995 0.74 EGFR (0.78) AURKAAURKBKDREGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948651-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2008-07-30 EP disclosed
US-20070149523-A1 Thiazole Analogues and Uses Thereof 4SC AG (DE) 2007-06-28 US disclosed
US-20070149523-A1 Thiazole Analogues and Uses Thereof 4SC AG (DE) 2007-06-28 US disclosed
US-20070149523-A1 Thiazole Analogues and Uses Thereof 4SC AG (DE) 2007-06-28 US disclosed
WO-2007054357-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2007-05-18 WO disclosed
WO-2007054357-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2007-05-18 WO disclosed
EP-1785420-A1 Thiazole analogues and uses thereof 4SC AG (DE) 2007-05-16 EP 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-20070149523-A1 Thiazole Analogues and Uses Thereof NR3C2, SLC26A4, CLIC4 AURKA 2397/4885AURKB 2491/4885KDR 1073/4885

“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.