SCHEMBL6862931

SCHEMBL6862931

Cc1[nH]c(C=C2C(=O)Nc3cc(Br)ccc32)c(C(C)C)c1CN(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.66
PRKAA1 Q13131 2/20 0.49
PRKAA2 P54646 1/20 0.49
KDR P35968 12/20 0.48
PDGFRB P09619 10/20 0.48
FGFR1 P11362 9/20 0.48
RET P07949 3/20 0.45
EGFR P00533 2/20 0.43
FLT3 P36888 3/20 0.41
FLT4 P35916 2/20 0.41
AURKA O14965 2/20 0.40
FLT1 P17948 2/20 0.40
MAP4K2 Q12851 2/20 0.40
STK3 Q13188 2/20 0.40
AURKB Q96GD4 2/20 0.40
GAK O14976 1/20 0.40
RPS6KA5 O75582 1/20 0.40
RPS6KA4 O75676 1/20 0.40
LATS1 O95835 1/20 0.40
CSNK2A2 P19784 1/20 0.40

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
SCHEMBL6862923 1.00 CHEK1 (0.66) CHEK1PRKAA1PRKAA2KDRPDGFRB
SCHEMBL6859703 0.80 CHEK1 (1.00) CHEK1KDRPDGFRBFGFR1EGFR
SCHEMBL6859706 0.80 CHEK1 (1.00) CHEK1KDRPDGFRBFGFR1EGFR
SCHEMBL6855294 0.76 KDR (0.67) CHEK1PRKAA1PRKAA2KDRPDGFRB
SCHEMBL6855290 0.76 KDR (0.67) CHEK1PRKAA1PRKAA2KDRPDGFRB
SCHEMBL6861315 0.75 CHEK1 (0.62) CHEK1PRKAA1PRKAA2KDRPDGFRB
SCHEMBL6861313 0.75 CHEK1 (0.62) CHEK1PRKAA1PRKAA2KDRPDGFRB
SCHEMBL6691877 0.72 RET (0.81) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6859701 0.72 RET (0.81) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL4407262 0.71 KDR (0.72) CHEK1PRKAA1PRKAA2KDRPDGFRB

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
US-6797825-B2 1,3-DIHYDRO-2H-INDOL- 2-ONE DERIVATIVES ABBOTT LABORATORIES 2004-09-28 US disclosed
US-20030162785-A1 Protein kinase inhibitors ABBVIE INC. 2003-08-28 US disclosed
US-20030119839-A1 Protein kinase inhibitors ABBOTT LABORATORIES 2003-06-26 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 (2 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-20030162785-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 CHEK1 139/4885PRKAA1 145/4885PRKAA2 219/4885
US-20030119839-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 CHEK1 139/4885PRKAA1 145/4885PRKAA2 219/4885

“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.