SCHEMBL63816

SCHEMBL63816

CNC(=O)c1cccc(CCC(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PPARG P37231 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP13 P45452 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL25810523 0.84 SLC7A5 (0.55) SLC7A5CYP4F2CYP4A11HDAC8HDAC6
SCHEMBL14027356 0.84 SLC7A5 (0.55) SLC7A5CYP4F2CYP4A11HDAC8HDAC6
SCHEMBL27399582 0.84 CYP4F2 (0.54) SLC7A5CYP4F2CYP4A11SIRT2KMT2A
SCHEMBL1405200 0.84 SLC7A5 (0.58) SLC7A5CYP4F2CYP4A11HDAC8HDAC6
SCHEMBL31455819 0.84 CYP4F2 (0.54) CYP4F2CYP4A11MRGPRX4SIRT2ALDH1A1
SCHEMBL3530979 0.84 CYP4F2 (0.54) CYP4F2CYP4A11MRGPRX4SIRT2ALDH1A1
SCHEMBL3414665 0.81 CYP4F2 (0.66) SLC7A5CYP4F2CYP4A11HDAC8HDAC6
SCHEMBL13844842 0.81 PLK1 (0.64) SLC7A5CYP4F2CYP4A11HDAC8HDAC6
SCHEMBL5254691 0.81 SLC7A5 (0.57) SLC7A5CYP4F2CYP4A11HDAC8HDAC6
SCHEMBL3930497 0.81 CYP4F2 (0.50) SLC7A5CYP4F2CYP4A11SIRT2MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 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

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 SLC7A5 804/4885CYP4F2 102/4885CYP4A11 24/4885
US-20100273811-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 SLC7A5 1323/4885CYP4F2 281/4885CYP4A11 447/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SLC7A5 1366/4885CYP4F2 199/4885CYP4A11 35/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SLC7A5 1176/4885CYP4F2 847/4885CYP4A11 926/4885
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 SLC7A5 1323/4885CYP4F2 281/4885CYP4A11 447/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SLC7A5 1366/4885CYP4F2 199/4885CYP4A11 35/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SLC7A5 1366/4885CYP4F2 199/4885CYP4A11 35/4885

“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.