SCHEMBL6090233

SCHEMBL6090233

Cc1cc(C(C)C)c(C=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
CA1 P00915 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AURKA O14965 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
NEK2 P51955 1/20 0.31

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
SCHEMBL5363339 0.79 DAO (0.32) CHEK1AURKAMAP4K4ABL1CSF1R
SCHEMBL20258124 0.70 LMNA (0.34) CHEK1CA1L3MBTL1AURKAMAP4K4
SCHEMBL29955393 0.65 KDM4E (0.46) CA1RET
SCHEMBL4471035 0.65 KDM4E (0.40) L3MBTL1
SCHEMBL3284250 0.65 HAVCR2 (0.36) CA1
SCHEMBL3579630 0.65 FABP3 (0.42)
SCHEMBL7124498 0.64 BRD4 (0.38) L3MBTL1MAP2K1BTK
SCHEMBL16510896 0.64 KDM4E (0.35) FLT1
SCHEMBL3152040 0.64 ALDH1A1 (0.35) CHEK1L3MBTL1AURKAMAP4K4ABL1
SCHEMBL8194397 0.63

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 139/4885CA1 3982/4885L3MBTL1 3069/4885
US-20030119839-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 CHEK1 139/4885CA1 3982/4885L3MBTL1 3069/4885

“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.