SCHEMBL2461832

SCHEMBL2461832

CC(C)N1CCCN(c2ccc(N)c(C(=O)NCC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.42
PTPRC P08575 2/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
HDAC4 P56524 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HCN1 O60741 1/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
DDR1 Q08345 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
SCHEMBL2456092 0.86 IP6K1 (0.42) IP6K1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2458671 0.85 GAA (0.45) IP6K1PTPRCALDH1A1MAPTKDM4E
SCHEMBL2461088 0.85 IP6K1 (0.44) IP6K1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2463348 0.84 IP6K1 (0.41) IP6K1PTPRC
SCHEMBL2461879 0.82 IP6K1 (0.44) IP6K1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1919963 0.81 MAPT (0.48) IP6K1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2462006 0.80 MAPT (0.45) IP6K1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2465258 0.79 USP25 (0.38) IP6K1PTPRCTNF
SCHEMBL2456136 0.78 IP6K1 (0.36) IP6K1PTPRCALDH1A1MAPTLMNA
SCHEMBL2464130 0.78 MAPT (0.47) IP6K1ALDH1A1MAPTLMNASMN1; SMN2

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 2048/4885PTPRC 4427/4885BMPR1B 4851/4885

“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.