SCHEMBL5410752

SCHEMBL5410752

CN(C)C(=O)CCc1c[nH]c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 7/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BUB1 O43683 4/20 0.33
CDK4 P11802 1/20 0.32
AURKA O14965 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL5409905 0.88 ALDH1A1 (0.39) ALPLHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL5417695 0.85 AURKA (0.41) ALPLHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL6412628 0.79 PTK2 (0.35) ALDH1A1CDK4AURKATSHR
SCHEMBL6692185 0.79 CDK4 (0.33) CDK4TSHR
SCHEMBL3629414 0.77 HSD17B10 (0.51) ALPLHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL7236120 0.77 ALDH1A1 (0.41) ALPLHSD17B10ALDH1A1NPSR1KDM4E
SCHEMBL6767802 0.69 ALPL (0.39) ALPLHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1220108 0.68 HSD17B10 (0.42) ALPLHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL11393685 0.67 ALPL (0.37) ALPLHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL6407392 0.67 ALDH1A1 (0.41) ALDH1A1CDK4AURKATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 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 (3 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-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 ALPL 2767/4885HSD17B10 2261/4885ALDH1A1 3457/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 ALPL 3762/4885HSD17B10 1857/4885ALDH1A1 2196/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM ALPL 1712/4885HSD17B10 2552/4885ALDH1A1 2442/4885

“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.