SCHEMBL3979285

SCHEMBL3979285

Nc1nccc2scc(-c3ccc4ccc(-c5ccccn5)nc4c3F)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.44
AURKB Q96GD4 4/20 0.44
AURKA O14965 3/20 0.44
EPHB4 P54760 1/20 0.44
ROCK2 O75116 3/20 0.38
MAP4K4 O95819 3/20 0.38
LCK P06239 3/20 0.38
FGFR1 P11362 3/20 0.38
FLT1 P17948 3/20 0.38
AXL P30530 3/20 0.38
FLT4 P35916 3/20 0.38
FLT3 P36888 3/20 0.38
CSNK1A1 P48729 3/20 0.38
CSNK1D P48730 3/20 0.38
IRAK1 P51617 3/20 0.38
CSNK1G2 P78368 3/20 0.38
MAP4K2 Q12851 3/20 0.38
ROCK1 Q13464 3/20 0.38
CAMK2B Q13554 3/20 0.38
NTRK2 Q16620 3/20 0.38

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
SCHEMBL3986247 0.88 KDR (0.48) KDRAURKBAURKAEPHB4ROCK2
SCHEMBL3978986 0.84 KDR (0.50) KDRAURKAROCK2MAP4K4LCK
SCHEMBL4247951 0.83 PADI1 (0.40) CAMK2GDYRK1APADI1PADI3PADI4
SCHEMBL3981606 0.78 KDR (0.53) KDRAURKBAURKAEPHB4ROCK2
SCHEMBL11373116 0.75 KDM4E (0.52) MAP4K4CAMK2GDYRK1APADI1PADI3
SCHEMBL3980028 0.74 KDR (0.43) KDRMAP4K4LCKFGFR1FLT1
SCHEMBL3980289 0.74 EPHB4 (0.45) KDRAURKBAURKAEPHB4ROCK2
SCHEMBL29503496 0.73 KDR (0.55) KDRAURKBAURKAEPHB4ROCK2
SCHEMBL29503509 0.73 KDR (0.55) KDRAURKBAURKAEPHB4ROCK2
SCHEMBL19743543 0.73 KDR (0.55) KDRAURKBAURKAEPHB4ROCK2

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.