SCHEMBL2463348

SCHEMBL2463348

CC(C)(C)OC(=O)CNC(=O)c1cc(N2CCCN(CCO)CC2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.41
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CSF1R P07333 1/20 0.37
DRD4 P21917 4/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 2/20 0.36
PTPRC P08575 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2458671 0.90 GAA (0.45) IP6K1PTPRC
SCHEMBL2463213 0.84 IP6K1 (0.42) IP6K1CSF1RDRD4DRD2TP53
SCHEMBL2461832 0.84 IP6K1 (0.42) IP6K1PTPRC
SCHEMBL1919963 0.80 MAPT (0.48) IP6K1TP53
SCHEMBL691990 0.78 IP6K1 (0.47) IP6K1CSF1RDRD2TP53
SCHEMBL2456136 0.78 IP6K1 (0.36) IP6K1DRD4PTPRC
SCHEMBL2456132 0.77 HDAC4 (0.42) IP6K1
SCHEMBL3452434 0.76 IP6K1 (0.42) IP6K1CSF1R
SCHEMBL2458654 0.76 MAPT (0.46) IP6K1
SCHEMBL2462006 0.75 MAPT (0.45) IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
EP-2069315-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. Organon (NL) 2009-06-17 EP disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA IP6K1 2048/4885ACHE 372/4885BACE1 3902/4885

“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.