Sugi Predict

Sugi Predict / Compounds / SCHEMBL6090987

SCHEMBL6090987

SCHEMBL6090987

Cc1[nH]c(C=O)c(C)c1CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ FGFR1 P11362 6/20 0.34
▸ KDR P35968 6/20 0.34
▸ PDGFRB P09619 5/20 0.34
▸ AURKA O14965 2/20 0.34
▸ RET P07949 2/20 0.34
▸ FLT1 P17948 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ MAP4K2 Q12851 2/20 0.34
▸ STK3 Q13188 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ GAK O14976 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34
▸ RPS6KA4 O75676 1/20 0.34
▸ LATS1 O95835 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34

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
SCHEMBL6088742 0.91 KDM4E (0.46) CHEK1ALDH1A1TSHRHTTKDM4E
SCHEMBL6090420 0.89 CHEK1 (0.43) CHEK1ALDH1A1TSHRHTTKDM4E
SCHEMBL1981272 0.80 KDR (0.51) CHEK1FGFR1KDRPDGFRBAURKA
SCHEMBL6740330 0.79 FGFR1 (0.44) CHEK1FGFR1KDRPDGFRBAURKA
SCHEMBL6744702 0.78 HTR6 (0.42) CHEK1FGFR1KDRPDGFRBAURKA
SCHEMBL5358334 0.78 ALDH1A1 (0.39) CHEK1ALDH1A1HTTKDM4EPDGFRB
SCHEMBL6092020 0.77 CHEK1 (0.33) CHEK1ALDH1A1POLBKMT2A
SCHEMBL4405794 0.77 SRC (0.35) CHEK1KDM4EKDRPRKAA1
SCHEMBL6673031 0.76 MAPK1 (0.57) CHEK1ALDH1A1TSHRFGFR1KDR
SCHEMBL6089103 0.76 ALDH1A1 (0.38) CHEK1ALDH1A1TSHRFGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 — — US disclosed
CN-1193026-C Z-pyrazoline-5-ones BASF AG (DE) 2005-03-16 — — CN disclosed
US-6797825-B2 1,3-DIHYDRO-2H-INDOL- 2-ONE DERIVATIVES ABBOTT LABORATORIES 2004-09-28 — — US disclosed
EP-1453800-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2004-09-08 — — EP 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
WO-2003051838-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-06-26 — — WO disclosed
CN-1377346-A Z-pyrazoline-5-ones BASF AG (DE) 2002-10-30 — — CN disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 — — EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 — — WO 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 139/4885ALDH1A1 3189/4885TSHR 3016/4885
US-20030119839-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 CHEK1 139/4885ALDH1A1 3189/4885TSHR 3016/4885

“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.