SCHEMBL2463213

SCHEMBL2463213

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.42
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CCR2 P41597 2/20 0.36
CSF1R P07333 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PTPN11 Q06124 1/20 0.35
TP53 P04637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
RORC P51449 1/20 0.35
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
TERT O14746 1/20 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
SCHEMBL2460762 0.88 IP6K1 (0.45) IP6K1SIRT6GAA
SCHEMBL2458700 0.87 SIRT6 (0.46) IP6K1SIRT6GAA
SCHEMBL2461863 0.86 IP6K1 (0.48) IP6K1SIRT6PTPN11GAA
SCHEMBL2461088 0.85 IP6K1 (0.44) IP6K1CTSKCCR2SIRT6PTPN11
SCHEMBL2461879 0.84 IP6K1 (0.44) IP6K1CCR2SIRT6PTPN11
SCHEMBL2463348 0.84 IP6K1 (0.41) IP6K1CSF1RTP53DRD2DRD4
SCHEMBL3452434 0.83 IP6K1 (0.42) IP6K1CTSLCTSBCTSSCTSK
SCHEMBL2462443 0.81 CCR2 (0.39) IP6K1CCR2DRD2
SCHEMBL2462006 0.80 MAPT (0.45) IP6K1CTSSCTSKPTPN11
SCHEMBL691990 0.79 IP6K1 (0.47) IP6K1CSF1RSIRT6TP53DRD2

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
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
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA IP6K1 2048/4885CTSL 3838/4885CTSB 3187/4885

“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.