SCHEMBL4812353

SCHEMBL4812353

CN(C)C1CCN(Cc2ccc3c(c2)Cc2c(-c4cccs4)n[nH]c2-3)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.68
CHEK1 O14757 5/20 0.53
KCNH2 Q12809 4/20 0.52
PLK4 O00444 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
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
LYN P07948 1/20 0.49
KIT P10721 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
PHKG2 P15735 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 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
SCHEMBL4813573 0.87 KDR (0.75) KDRCHEK1KCNH2KITFLT1
SCHEMBL4818861 0.84 KDR (0.71) KDRCHEK1KCNH2
SCHEMBL4815216 0.83 KDR (0.78) KDRCHEK1KCNH2KITFLT1
SCHEMBL4808732 0.83 KDR (0.64) KDRCHEK1KCNH2
SCHEMBL4811322 0.83 KDR (0.77) KDRCHEK1KCNH2KITFLT1
SCHEMBL4817592 0.82 KDR (0.60) KDRCHEK1KCNH2
SCHEMBL4820264 0.76 KDR (0.85) KDRCHEK1KCNH2KITFLT1
SCHEMBL4809651 0.74 KDR (0.74) KDRCHEK1KCNH2PLK4IKBKB
SCHEMBL4808759 0.72 KDR (0.85) KDRCHEK1KCNH2FYNCSF1R
SCHEMBL4816967 0.72 KDR (0.67) KDRCHEK1KCNH2KITFLT1

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 666/4885CHEK1 79/4885KCNH2 2628/4885

“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.