SCHEMBL4817756

SCHEMBL4817756

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccsc3)c3c2-c2cc(CNC(=N)N)ccc2C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.36
KIT P10721 2/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
TEK Q02763 2/20 0.36
GPBAR1 Q8TDU6 6/20 0.35
PTGES O14684 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KLK1 P06870 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL4816463 0.88 PTGES (0.37) KDRKITFLT1FLT4TEK
SCHEMBL4816274 0.87 PTGES (0.37) KDRKITFLT1FLT4TEK
SCHEMBL4807491 0.87 LMNA (0.36) KDRKITFLT1FLT4TEK
SCHEMBL4816293 0.87 KDR (0.40) KDRKITFLT1FLT4TEK
SCHEMBL4820064 0.86 LMNA (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4812159 0.85 LMNA (0.43) KDRKITFLT1FLT4TEK
SCHEMBL4817027 0.85 KDR (0.38) KDRKITFLT1FLT4TEK
SCHEMBL4812254 0.85 CHEK1 (0.35) KDRKITFLT1FLT4TEK
SCHEMBL4810667 0.84 LMNA (0.42) KDRKITFLT1FLT4TEK
SCHEMBL5929631 0.84 LMNA (0.42) KDRKITFLT1FLT4TEK

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 666/4885KIT 472/4885FLT1 850/4885

“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.