SCHEMBL64370

SCHEMBL64370

COC(=O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
KMT2A Q03164 1/20 0.71
ALDH1A1 P00352 3/20 0.66
HPGD P15428 2/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
CRBN Q96SW2 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
MGLL Q99685 1/20 0.54
STAT3 P40763 1/20 0.53
DDB1 Q16531 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53

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
SCHEMBL3895677 0.87 RAB9A (0.72) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL28009793 0.86 ALDH1A1 (0.66) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL7326778 0.85 RAB9A (0.71) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL3873495 0.85 ALDH1A1 (0.61) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL5089275 0.85 PIK3CA (0.67) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL1331652 0.84 RAB9A (0.73) NPC1RAB9AKMT2AMAPTCRBN
SCHEMBL13271450 0.84 ALDH1A1 (0.60) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL209882 0.84 ALDH1A1 (0.71) KMT2AALDH1A1HPGDALOX15HSD17B10
SCHEMBL31283651 0.84 ALDH1A1 (0.71) KMT2AALDH1A1HPGDALOX15HSD17B10
SCHEMBL9211056 0.83 KMT2A (1.00) NPC1RAB9AKMT2AMAPTCRBN

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
WO-2018029604-A1 C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2018-02-15 WO disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 US disclosed
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
EP-0385351-B1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO (JP) 1995-01-11 EP disclosed
US-5025012-A Cardiovascular disorders; antiischemic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-18 US disclosed
EP-0385351-A1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 EP 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 (7 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 NPC1 52/4885RAB9A 1091/4885KMT2A 2391/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 NPC1 20/4885RAB9A 701/4885KMT2A 3318/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 608/4885RAB9A 903/4885KMT2A 1086/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 529/4885RAB9A 1957/4885KMT2A 602/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 NPC1 2042/4885RAB9A 1323/4885KMT2A 347/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 NPC1 20/4885RAB9A 701/4885KMT2A 3318/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 NPC1 20/4885RAB9A 701/4885KMT2A 3318/4885

“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.