SCHEMBL63835

SCHEMBL63835

COC(=O)c1ccc(-n2cccn2)nc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
KMT2A Q03164 3/20 0.67
MEN1 O00255 1/20 0.65
KDM4E B2RXH2 6/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP2D6 P10635 1/20 0.63
ALDH1A1 P00352 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HPGD P15428 2/20 0.61
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CXCR4 P61073 2/20 0.53
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL14811004 0.85 LMNA (0.64) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL30175326 0.84 LMNA (0.75) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL3503653 0.84 LMNA (0.75) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL29425707 0.82 LMNA (1.00) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL322839 0.82 LMNA (1.00) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL3503151 0.81 KMT2A (0.76) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL4119437 0.81 LMNA (0.75) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL31005017 0.81 LMNA (0.75) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL4895762 0.81 LMNA (0.46) LMNAKMT2AMEN1KDM4ECYP1A2
SCHEMBL4537862 0.80 KDM5A (0.56) LMNAKMT2AMEN1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1910171-A Method for preparation of 6-11 bicyclo erythromycin derivant ENNATA PHARMACEUTICALS INC (US) 2007-02-07 CN claimed
CN-112574201-B Arylamine compound, pharmaceutical composition containing arylamine compound, and preparation method and application of arylamine compound 四川科伦博泰生物医药股份有限公司 2024-04-19 CN disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US 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-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
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
EP-1829870-A1 2-(PYRAZOL-1-YL)PYRIDINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-09-05 EP disclosed
CN-1910171-A Method for preparation of 6-11 bicyclo erythromycin derivant ENNATA PHARMACEUTICALS INC (US) 2007-02-07 CN disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
US-7135573-B2 Processes for the preparation of O-(6-Pyrazol-1-yl-pyridin-3-ylmethyl)-hydroxylamine ENANTA PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
US-7022679-B2 Processes for the preparation of 6-11 bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2006-04-04 US disclosed
US-20060058248-A1 Processes for the preparation of 6-11 bicyclic erythromycin derivatives XU GUOYOU 2006-03-16 US disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
WO-2005070918-A1 PROCESS FOR THE PREPARATION OF T-11 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
US-20040171818-A1 Processes for the preparation of 6-11 bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. 2004-09-02 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 (8 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-20060058248-A1 Processes for the preparation of 6-11 bicyclic erythromycin derivatives CYP2B6, CYP2D6, CYP2C9 LMNA 548/4885KMT2A 4090/4885MEN1 4174/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 LMNA 2866/4885KMT2A 2391/4885MEN1 13/4885
US-20040171818-A1 Processes for the preparation of 6-11 bicyclic erythromycin derivatives CYP2B6, CYP7A1, CYP2D6 LMNA 551/4885KMT2A 4213/4885MEN1 3983/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 LMNA 3279/4885KMT2A 3318/4885MEN1 63/4885
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 LMNA 1590/4885KMT2A 602/4885MEN1 136/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 LMNA 4027/4885KMT2A 347/4885MEN1 1457/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 LMNA 3279/4885KMT2A 3318/4885MEN1 63/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 LMNA 3279/4885KMT2A 3318/4885MEN1 63/4885

“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.