SCHEMBL4894568

SCHEMBL4894568

CN1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCNC(=O)Oc5ccccc5)c4)n[nH]c2-3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 1.00
KCNH2 Q12809 14/20 1.00
FYN P06241 1/20 0.76
CSF1R P07333 1/20 0.76
PDGFRB P09619 1/20 0.76
KIT P10721 1/20 0.76
SRC P12931 1/20 0.76
PDGFRA P16234 1/20 0.76
FLT1 P17948 1/20 0.76
FLT4 P35916 1/20 0.76
FLT3 P36888 1/20 0.76
TEK Q02763 1/20 0.76

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
SCHEMBL5929568 0.89 KDR (1.00) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL5929620 0.88 KDR (0.82) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL4814667 0.88 KDR (1.00) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL4813916 0.86 KDR (1.00) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL4814537 0.85 KDR (0.89) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL4820603 0.85 KDR (0.77) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL4816560 0.84 KDR (0.75) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL5929537 0.84 KDR (1.00) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL4812557 0.83 KDR (0.74) KDRKCNH2FYNCSF1RPDGFRB
SCHEMBL4817791 0.83 KDR (0.73) KDRKCNH2FYNCSF1RPDGFRB

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 2628/4885FYN 202/4885

“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.