SCHEMBL63678

SCHEMBL63678

COc1cccc(CCc2cc(NC(=O)c3ccc(CO)cc3)[nH]n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
ABCB1 P08183 2/20 0.47
RAB9A P51151 3/20 0.44
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NR3C2 P08235 1/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PRKACA P17612 1/20 0.43
GSK3A P49840 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
SCHEMBL62401 0.90 NR3C2 (0.48) HDAC1ABCB1RAB9AROCK2ROCK1
SCHEMBL63175 0.88 KDM4E (0.47) HDAC1ABCB1RAB9ATP53SMN1; SMN2
SCHEMBL64148 0.88 KMT2A (0.54) ABCB1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL64290 0.87 RAB9A (0.62) HDAC1ABCB1RAB9AROCK2ROCK1
SCHEMBL64844 0.87 CA1 (0.51) HDAC1ABCB1RAB9AROCK2ROCK1
SCHEMBL62684 0.85 LMNA (0.46) HDAC1ABCB1RAB9AROCK2ROCK1
SCHEMBL62361 0.85 ABCB1 (0.47) HDAC1ABCB1RAB9AROCK2ROCK1
SCHEMBL65150 0.85 ABCB1 (0.49) HDAC1ABCB1RAB9AROCK2ROCK1
SCHEMBL62554 0.85 ABCB1 (0.47) HDAC1ABCB1RAB9AROCK2ROCK1
SCHEMBL64118 0.85 KCNQ3 (0.52) HDAC1ABCB1RAB9AROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP claimed
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
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 HDAC1 153/4885ABCB1 41/4885RAB9A 1091/4885
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 HDAC1 94/4885ABCB1 97/4885RAB9A 1957/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HDAC1 96/4885ABCB1 32/4885RAB9A 701/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC1 1/4885ABCB1 134/4885RAB9A 903/4885
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 HDAC1 94/4885ABCB1 97/4885RAB9A 1957/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HDAC1 96/4885ABCB1 32/4885RAB9A 701/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HDAC1 96/4885ABCB1 32/4885RAB9A 701/4885

“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.