SCHEMBL4813726

SCHEMBL4813726

CNC(=O)c1ccc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)s1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.61
CHEK1 O14757 1/20 0.59
KIT P10721 5/20 0.55
FLT1 P17948 4/20 0.55
KCNH2 Q12809 1/20 0.54

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
SCHEMBL4816967 0.84 KDR (0.67) KDRCHEK1KITFLT1KCNH2
SCHEMBL4817801 0.83 KDR (0.73) KDRKITFLT1
SCHEMBL4817778 0.82 KDR (0.61) KDRCHEK1KITFLT1KCNH2
SCHEMBL4811322 0.80 KDR (0.77) KDRCHEK1KITFLT1KCNH2
SCHEMBL4887750 0.80 KDR (0.65) KDRKITFLT1
SCHEMBL4818480 0.79 KDR (0.82) KDRCHEK1KITFLT1KCNH2
SCHEMBL4817603 0.79 KDR (0.64) KDRCHEK1KITFLT1KCNH2
SCHEMBL4818488 0.77 KDR (0.64) KDRCHEK1KITFLT1
SCHEMBL4813450 0.77 KDR (0.71) KDRKITFLT1
SCHEMBL4820264 0.77 KDR (0.85) KDRCHEK1KITFLT1KCNH2

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 79/4885KIT 472/4885

“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.