SCHEMBL4816888

SCHEMBL4816888

Ic1n[nH]c2c1Cc1ccc(CN3CCOCC3)cc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.55
KDR P35968 13/20 0.54
KIT P10721 1/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
TEK Q02763 1/20 0.52
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 1/20 0.44
MAP4K4 O95819 1/20 0.42
RET P07949 1/20 0.42
PHKG2 P15735 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MARK3 P27448 1/20 0.42
FLT3 P36888 1/20 0.42
RPS6KA3 P51812 1/20 0.42

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
SCHEMBL4813036 0.93 CHEK1 (0.63) CHEK1KDRNPC1TP53TSHR
SCHEMBL4816240 0.81 KDR (0.69) CHEK1KDRKITFLT1FLT4
SCHEMBL4817573 0.78 CHEK1 (0.89) CHEK1KDRKITFLT1FLT4
SCHEMBL4812055 0.77 CHEK1 (0.62) CHEK1KDRKITFLT1FLT4
SCHEMBL4817351 0.77 CHEK1 (0.68) CHEK1KDRKCNH2
SCHEMBL4817142 0.77 CHEK1 (0.90) CHEK1KDRKITFLT1FLT4
SCHEMBL4809128 0.73 CHEK1 (0.81) CHEK1KDR
SCHEMBL4813967 0.73 MAPK1 (0.56) CHEK1MAPK1SMN1; SMN2
SCHEMBL4818861 0.73 KDR (0.71) CHEK1KDRNPC1TP53TSHR
SCHEMBL4817947 0.73 KDR (0.83) CHEK1KDRKITFLT1FLT4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CHEK1 73/4885KDR 1024/4885KIT 465/4885

“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.