SCHEMBL3980294

SCHEMBL3980294

Nc1nccc2scc(-c3ccc4ccc(-c5ccccc5)nc4n3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.52
AURKA O14965 4/20 0.52
AURKB Q96GD4 4/20 0.52
EPHB4 P54760 1/20 0.45
MAP4K4 O95819 4/20 0.41
LCK P06239 4/20 0.41
CSF1R P07333 4/20 0.41
FGFR1 P11362 4/20 0.41
FLT1 P17948 4/20 0.41
CSNK1A1 P48729 4/20 0.41
MAP4K2 Q12851 4/20 0.41
ROCK1 Q13464 4/20 0.41
NTRK2 Q16620 4/20 0.41
TAOK1 Q7L7X3 4/20 0.41
RET P07949 3/20 0.41
CLK2 P49760 3/20 0.41
RPS6KA3 P51812 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
PLK4 O00444 3/20 0.41
ROCK2 O75116 3/20 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
SCHEMBL3985456 0.83 KDR (0.45) KDRAURKAAURKBEPHB4MAP4K4
SCHEMBL3977000 0.82 KDR (0.55) KDRAURKAAURKBEPHB4MAP4K4
SCHEMBL3986247 0.81 KDR (0.48) KDRAURKAAURKBEPHB4MAP4K4
SCHEMBL3977031 0.80 KDR (0.67) KDRAURKAMAP4K4LCKCSF1R
SCHEMBL3979533 0.71 KDR (0.51) KDRAURKAAURKBEPHB4MAP4K4
SCHEMBL3981606 0.71 KDR (0.53) KDRAURKAAURKBEPHB4MAP4K4
SCHEMBL3533248 0.70 KDR (0.68) KDRAURKAAURKBEPHB4MAP4K4
SCHEMBL27923016 0.70 KDR (0.64) KDRAURKAAURKBEPHB4MAP4K4
SCHEMBL28803622 0.70 KDR (0.79) KDRAURKAAURKBEPHB4MAP4K4
SCHEMBL3529396 0.70 KDR (0.68) KDRAURKAAURKBEPHB4MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2130/4885AURKA 1878/4885AURKB 1176/4885

“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.