SCHEMBL6099089

SCHEMBL6099089

COC(=O)c1cccc2[nH]c(-c3nc(C4CCCCC4)n(Cc4ccccc4)c3COC34CC5CC(CC(C5)C3)C4)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
CCKBR P32239 1/20 0.40
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
AURKB Q96GD4 2/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
CLK2 P49760 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2D Q13557 1/20 0.35
DYRK1A Q13627 1/20 0.35
PIM3 Q86V86 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
STK17A Q9UEE5 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 8/20 0.34
DHODH Q02127 2/20 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
SCHEMBL6099003 0.85 CCKBR (0.39) CCKBRKMT2A
SCHEMBL6096366 0.81 CCKBR (0.52) RIPK1CCKBRPKN1PKN2PARP1
SCHEMBL6096147 0.76 RAB9A (0.38) CCKBRKMT2A
SCHEMBL6096557 0.75 KMT2A (0.40) CCKBRKMT2A
SCHEMBL6097679 0.74 CCKBR (0.40) CCKBRKMT2A
SCHEMBL6335210 0.73 KMT2A (0.39) CCKBRKMT2A
SCHEMBL6096460 0.73 CCKBR (0.56) CCKBRPARP1DHODH
SCHEMBL6097590 0.73 KMT2A (0.40) CCKBRKMT2A
Lithium Ion SCHEMBL6335206 0.73 KMT2A (0.39) CCKBRKMT2A
SCHEMBL6097387 0.72 CNR2 (0.36) CCKBRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034048-B2 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2006-04-25 US disclosed
US-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-09 US disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 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 (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-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) CCKAR, CCKBR, GRPR RIPK1 3153/4885CCKBR 2/4885PKN1 2678/4885

“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.