SCHEMBL4811991

SCHEMBL4811991

CN(C)Cc1ccc2c(c1)-c1[nH]nc(-c3csc(C#CCCC#N)c3)c1C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.58
KCNH2 Q12809 12/20 0.58
CSF1R P07333 3/20 0.51
KIT P10721 3/20 0.51
FLT4 P35916 3/20 0.51
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
TEK Q02763 2/20 0.51
LCK P06239 2/20 0.51
FYN P06241 2/20 0.50
FLT1 P17948 2/20 0.50
FLT3 P36888 2/20 0.50
SRC P12931 1/20 0.50
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
IKBKB O14920 1/20 0.49
RPS6KA5 O75582 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49

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
SCHEMBL4810341 0.83 KDR (0.79) KDRKCNH2CSF1RKITFLT4
SCHEMBL4820324 0.83 KDR (0.79) KDRKCNH2CSF1RKITFLT4
SCHEMBL4811362 0.80 KDR (0.52) KDRKCNH2CSF1RKITFLT4
SCHEMBL4811262 0.73 KDR (1.00) KDRKCNH2CSF1RKITFLT4
SCHEMBL4816560 0.72 KDR (0.75) KDRKCNH2CSF1RKITFLT4
SCHEMBL4815237 0.72 KDR (0.89) KDRKCNH2CSF1RKITFLT4
SCHEMBL4818298 0.72 KDR (1.00) KDRKCNH2CSF1RKITFLT4
SCHEMBL4812557 0.71 KDR (0.74) KDRKCNH2CSF1RKITFLT4
SCHEMBL4820265 0.71 KDR (0.87) KDRKCNH2CSF1RKITFLT4
SCHEMBL4818189 0.71 KDR (0.82) KDRKCNH2CSF1RKITFLT4

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 KDR 666/4885KCNH2 2628/4885CSF1R 1770/4885

“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.