SCHEMBL4595690

SCHEMBL4595690

COc1cc2ncnc(Nc3ncc(CCC(=O)Nc4ccc(F)cc4)s3)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.63
KDR P35968 14/20 0.59
HDAC3 O15379 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
EGFR P00533 5/20 0.58
IGF1R P08069 1/20 0.53
FGFR1 P11362 1/20 0.53
SRC P12931 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53

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
SCHEMBL4594818 0.91 AURKA (0.76) AURKAKDREGFRIGF1RFGFR1
SCHEMBL4594617 0.89 AURKA (0.70) AURKAKDRHDAC3HDAC4HDAC1
SCHEMBL4594683 0.83 AURKA (0.60) AURKAKDREGFRJAK3AURKB
SCHEMBL4595269 0.83 AURKA (0.58) AURKAKDREGFRSRCJAK3
SCHEMBL5174881 0.81 AURKB (0.75) AURKAKDREGFRIGF1RFGFR1
SCHEMBL4595372 0.79 AURKA (0.66) AURKAKDREGFRIGF1RFGFR1
SCHEMBL31067662 0.78 EGFR (0.82) AURKAKDRHDAC3HDAC4HDAC1
SCHEMBL5027804 0.77 AURKA (0.74) AURKAKDRHDAC3HDAC4HDAC1
SCHEMBL5025354 0.77 AURKA (0.71) AURKAKDRHDAC3HDAC4HDAC1
SCHEMBL27740589 0.77 AURKA (0.71) AURKAKDRHDAC3HDAC4HDAC1

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 6 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

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 2397/4885KDR 1073/4885HDAC3 192/4885

“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.