SCHEMBL6781822

SCHEMBL6781822

CC(C)c1cccc2[nH]c3cnn(C)c3c(=O)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
CDK1 P06493 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
USP1 O94782 3/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
HIF1A Q16665 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
SCHEMBL6787756 0.83
SCHEMBL6788043 0.81 FEN1 (0.42) DAOALDH1A1KDM4EHSD17B10GLA
SCHEMBL6785738 0.80 POLB (0.39) DAOCDK1CDK2ALDH1A1KDM4E
SCHEMBL6782186 0.74 CDK4 (0.38) GAAHIF1APARP1
SCHEMBL6784727 0.74 KDR (0.43) CDK1CDK2ATMHIF1APARP1
Hydrochloric Acid SCHEMBL6785628 0.74 KDR (0.42) CDK1CDK2ATMHIF1APARP1
SCHEMBL6788140 0.73 PDE3B (0.33)
SCHEMBL6788209 0.73 PARP1 (0.42) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL6784847 0.73 CDK4 (0.39) CDK2GAAPARP1
SCHEMBL6791955 0.72 DAO (0.38) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG DAO 1867/4885CDK1 451/4885CCNA2 2454/4885

“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.