SCHEMBL3986247

SCHEMBL3986247

Nc1nccc2scc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.48
AURKB Q96GD4 3/20 0.48
AURKA O14965 2/20 0.48
EPHB4 P54760 1/20 0.47
IGF1R P08069 8/20 0.43
MAP4K4 O95819 3/20 0.41
LCK P06239 3/20 0.41
FGFR1 P11362 3/20 0.41
FLT1 P17948 3/20 0.41
CSNK1A1 P48729 3/20 0.41
MAP4K2 Q12851 3/20 0.41
ROCK1 Q13464 3/20 0.41
NTRK2 Q16620 3/20 0.41
TAOK1 Q7L7X3 3/20 0.41
PRKD3 O94806 2/20 0.41
RET P07949 2/20 0.41
CLK2 P49760 2/20 0.41
RPS6KA3 P51812 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41

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
SCHEMBL3979285 0.88 KDR (0.44) KDRAURKBAURKAEPHB4MAP4K4
SCHEMBL3980289 0.83 EPHB4 (0.45) KDRAURKBAURKAEPHB4IGF1R
SCHEMBL3978833 0.83 KDR (0.62) KDRAURKAIGF1RMAP4K4LCK
SCHEMBL3980294 0.81 KDR (0.52) KDRAURKBAURKAEPHB4MAP4K4
SCHEMBL3977000 0.78 KDR (0.55) KDRAURKBAURKAEPHB4IGF1R
SCHEMBL11368641 0.74 ADORA2A (0.55) AURKAIGF1RMAP4K4FGFR1RPS6KA3
SCHEMBL29503496 0.74 KDR (0.55) KDRAURKBAURKAEPHB4MAP4K4
SCHEMBL19743543 0.74 KDR (0.55) KDRAURKBAURKAEPHB4MAP4K4
SCHEMBL29503509 0.74 KDR (0.55) KDRAURKBAURKAEPHB4MAP4K4
SCHEMBL3978986 0.72 KDR (0.50) KDRAURKAMAP4K4LCKFGFR1

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-2051982-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
WO-2008018881-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2008-02-14 WO claimed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 US claimed
US-7566721-B2 Substituted thienol[2,3-d]pyrimidines as kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
EP-2051982-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
WO-2008018881-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 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-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors IGF1R, BRCA1, MAP2K6 KDR 2130/4885AURKB 1176/4885AURKA 1878/4885

“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.