SCHEMBL6827591

SCHEMBL6827591

CC(C)(C(=O)N1CCOCC1)c1ccc2c(c1)NC(=O)C1=C(C=C(Nc3cc(F)nc(F)c3)CC1)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.38
IKBKB O14920 1/20 0.38
NR1I2 O75469 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRM2 Q14416 1/20 0.37
KDR P35968 3/20 0.33
PDGFRB P09619 2/20 0.33
GNRHR P30968 1/20 0.33
PAK1 Q13153 1/20 0.32
ABL1 P00519 1/20 0.32
KIT P10721 1/20 0.31
MLNR O43193 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LCK P06239 1/20 0.30
RET P07949 1/20 0.30
PDGFRA P16234 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL5425319 0.93 CHEK1 (0.33) CHEK1IKBKBGNRHRMLNRCYP3A4
SCHEMBL4858889 0.82 CHEK1 (0.50) CHEK1IKBKBNR1I2KCNH2GRM2
SCHEMBL4856842 0.74 CHEK1 (0.52) CHEK1IKBKBKDRGNRHRKIT
SCHEMBL6209128 0.73 CHEK1 (0.40) CHEK1KDRPDGFRB
SCHEMBL4855365 0.72 CHEK1 (0.49) CHEK1IKBKBKDRPDGFRBKIT
SCHEMBL5417577 0.70 CHEK1 (0.42) CHEK1
SCHEMBL4891936 0.70 CHEK1 (0.65) CHEK1IKBKBKITSMN1; SMN2JAK2
SCHEMBL4849210 0.68 CHEK1 (0.53) CHEK1IKBKBGNRHRKIT
SCHEMBL4857733 0.68 CHEK1 (0.47) CHEK1IKBKBKDRPDGFRBMLNR
SCHEMBL4859764 0.66 CHEK1 (0.56) CHEK1IKBKBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHEK1 46/4885IKBKB 421/4885NR1I2 2902/4885

“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.