SCHEMBL2461879

SCHEMBL2461879

CC(C)NC(=O)CNC(=O)c1cc(N2CCN(C(C)C)CC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HDAC4 P56524 2/20 0.39
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
CCR2 P41597 2/20 0.37
SIRT6 Q8N6T7 1/20 0.37
GPR139 Q6DWJ6 2/20 0.37
HCN4 Q9Y3Q4 2/20 0.36
HCN1 O60741 1/20 0.36
PTPN11 Q06124 1/20 0.36
F2 P00734 1/20 0.36
F7 P08709 1/20 0.36
ASAH1 Q13510 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
SCHEMBL2461088 0.97 IP6K1 (0.44) IP6K1KDM4EALDH1A1MAPTPKM
SCHEMBL2458700 0.90 SIRT6 (0.46) IP6K1KDM4EMAPTSIRT6
SCHEMBL2460762 0.87 IP6K1 (0.45) IP6K1KDM4EMAPTSIRT6
SCHEMBL2461863 0.87 IP6K1 (0.48) IP6K1ALDH1A1MAPTSIRT6GPR139
SCHEMBL2456092 0.86 IP6K1 (0.42) IP6K1KDM4EALDH1A1MAPTPKM
SCHEMBL2463213 0.84 IP6K1 (0.42) IP6K1CCR2SIRT6PTPN11
SCHEMBL2461135 0.83 AVPR1B (0.42) IP6K1CCR2
SCHEMBL2490204 0.83 IP6K1 (0.39) IP6K1CCR2SIRT6
SCHEMBL2464130 0.83 MAPT (0.47) IP6K1ALDH1A1MAPTPTPN11
SCHEMBL2462397 0.83 IP6K1 (0.43) IP6K1HDAC4CCR2

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 2048/4885KDM4E 2909/4885ALDH1A1 83/4885

“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.