SCHEMBL4808732

SCHEMBL4808732

CN(C)CC(=O)N1CCN(Cc2ccc3c(c2)Cc2c(-c4cccs4)n[nH]c2-3)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.64
CHEK1 O14757 4/20 0.54
KCNH2 Q12809 4/20 0.51

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
SCHEMBL4813697 0.86 KDR (0.75) KDRCHEK1KCNH2
SCHEMBL4813573 0.84 KDR (0.75) KDRCHEK1KCNH2
SCHEMBL4812353 0.83 KDR (0.68) KDRCHEK1KCNH2
SCHEMBL4818861 0.81 KDR (0.71) KDRCHEK1KCNH2
SCHEMBL4817592 0.81 KDR (0.60) KDRCHEK1KCNH2
SCHEMBL4815216 0.80 KDR (0.78) KDRCHEK1KCNH2
SCHEMBL4811322 0.80 KDR (0.77) KDRCHEK1KCNH2
SCHEMBL4817778 0.75 KDR (0.61) KDRCHEK1KCNH2
SCHEMBL4813726 0.73 KDR (0.61) KDRCHEK1KCNH2
SCHEMBL4820264 0.73 KDR (0.85) KDRCHEK1KCNH2

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 5 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
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO 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.