SCHEMBL6788043

SCHEMBL6788043

Cn1ncc2[nH]c3cccc(F)c3c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.42
DAO P14920 2/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 1/20 0.37
PARP1 P09874 2/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC2A1 P11166 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
TYK2 P29597 2/20 0.33
PLK4 O00444 1/20 0.33
STK25 O00506 1/20 0.33

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
SCHEMBL6791955 0.83 DAO (0.38) DAOHTR7HTR6EGLN1
SCHEMBL6785754 0.82 EGLN1 (0.34) DAOEGLN1
SCHEMBL6785738 0.82 POLB (0.39) DAOALDH1A1KDM4EGLAGAA
SCHEMBL6781822 0.81 DAO (0.34) DAOPARP1ALDH1A1KDM4EGLA
SCHEMBL6781574 0.79 FEN1 (0.41) FEN1DAOCDK4CCND1ALDH1A1
SCHEMBL6784727 0.77 KDR (0.43) PARP1ATMPLK4CHEK1DAPK3
SCHEMBL6782186 0.77 CDK4 (0.38) CDK4CCND1PARP1GAAPLK4
Hydrochloric Acid SCHEMBL6785628 0.76 KDR (0.42) PARP1ATMPLK4CHEK1DAPK3
SCHEMBL6788140 0.75 PDE3B (0.33) EGLN1
SCHEMBL6788209 0.75 PARP1 (0.42) PARP1ALDH1A1KDM4EGLAGAA

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 FEN1 4449/4885DAO 1867/4885CDK4 1267/4885

“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.