SCHEMBL64245

SCHEMBL64245

COc1cc(COc2cc(NC(=O)c3ccc(N4CCNC(C)(C)C4)s3)[nH]n2)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 3/20 0.39
FGFR1 P11362 3/20 0.36
FGFR3 P22607 3/20 0.36
CSF1R P07333 2/20 0.36
FGFR4 P22455 1/20 0.36
ADAM17 P78536 6/20 0.34
HDAC3 O15379 4/20 0.34
HDAC2 Q92769 4/20 0.34
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
HDAC1 Q13547 1/20 0.33
MMP2 P08253 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL63950 0.85 FGFR1 (0.48) FGFR1FGFR3MEN1ALDH1A1KMT2A
SCHEMBL65154 0.85 FGFR1 (0.50) FGFR2FGFR1FGFR3CSF1RFGFR4
SCHEMBL64105 0.85 KMT2A (0.41) FGFR2FGFR1MEN1ALDH1A1KMT2A
SCHEMBL64602 0.82 FGFR1 (0.45) FGFR2FGFR1FGFR3
SCHEMBL62310 0.82 FGFR1 (0.39) FGFR2FGFR1ADAM17MEN1ALDH1A1
SCHEMBL65156 0.79 HRH3 (0.39) FGFR2FGFR1FGFR3FGFR4MEN1
SCHEMBL63963 0.72 CLK2 (0.48) FGFR1CSF1RHDAC3HDAC2HDAC1
SCHEMBL64313 0.72 NPC1 (0.53) MEN1ALDH1A1KMT2A
SCHEMBL64314 0.71 FGFR1 (0.49) FGFR2FGFR1FGFR3FGFR4
SCHEMBL64439 0.71 FGFR1 (0.51) FGFR2FGFR1FGFR3CSF1RFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 FGFR2 688/4885FGFR1 333/4885FGFR3 1412/4885
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 FGFR2 939/4885FGFR1 823/4885FGFR3 1462/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 FGFR2 755/4885FGFR1 238/4885FGFR3 1778/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FGFR2 603/4885FGFR1 168/4885FGFR3 773/4885
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 FGFR2 939/4885FGFR1 823/4885FGFR3 1462/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 FGFR2 755/4885FGFR1 238/4885FGFR3 1778/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 FGFR2 755/4885FGFR1 238/4885FGFR3 1778/4885

“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.