SCHEMBL63798

SCHEMBL63798

COc1cc(CCc2cc(N)n(C(=O)OC(C)(C)C)n2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
P2RX3 P56373 1/20 0.37
FGFR3 P22607 4/20 0.36
FGFR1 P11362 3/20 0.36
FGFR2 P21802 3/20 0.36
CALM1 P0DP23 2/20 0.35
AKR1B1 P15121 1/20 0.35
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
KDR P35968 1/20 0.33
DHODH Q02127 1/20 0.33
SRC P12931 1/20 0.33
DAO P14920 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL63665 0.89 NR3C2 (0.43) P2RX3
SCHEMBL4429135 0.84 CYP19A1 (0.44) CYP19A1FGFR3FGFR1FGFR2CALM1
SCHEMBL63851 0.81 TLR7 (0.39) SRC
SCHEMBL64487 0.81 ADRA1A (0.43)
SCHEMBL18054715 0.81 CYP19A1 (0.40) CYP19A1P2RX3FGFR1FGFR2CALM1
SCHEMBL63429 0.80 ALKBH1 (0.37) P2RX3SLC16A3SLC16A1
SCHEMBL23500384 0.78 FAAH (0.39) KDRSRCFAAH
SCHEMBL4552689 0.77 FPR1 (0.39) P2RX3FGFR3FGFR1FGFR2KDR
SCHEMBL63832 0.76 FGFR1 (0.38) FGFR3FGFR1FGFR2
SCHEMBL65278 0.76 CALM1 (0.42) CALM1

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 CYP19A1 50/4885P2RX3 4772/4885FGFR3 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 CYP19A1 145/4885P2RX3 4528/4885FGFR3 1462/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CYP19A1 134/4885P2RX3 4732/4885FGFR3 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 CYP19A1 241/4885P2RX3 4791/4885FGFR3 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 CYP19A1 145/4885P2RX3 4528/4885FGFR3 1462/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CYP19A1 134/4885P2RX3 4732/4885FGFR3 1778/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CYP19A1 134/4885P2RX3 4732/4885FGFR3 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.