SCHEMBL63889

SCHEMBL63889

COc1cc(CCc2cc(NC(=O)c3cnc(N4CCC(N(C)C(=O)OC(C)(C)C)C4)cn3)[nH]n2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
FGFR2 P21802 4/20 0.37
RET P07949 3/20 0.35
FGFR1 P11362 3/20 0.35
NTRK1 P04629 1/20 0.35
PDGFRB P09619 1/20 0.35
MARK3 P27448 1/20 0.35
TNK2 Q07912 1/20 0.35
DDR1 Q08345 1/20 0.35
MAP4K2 Q12851 1/20 0.35
MAP3K11 Q16584 1/20 0.35
DDR2 Q16832 1/20 0.35
MARK2 Q7KZI7 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.35
MAP4K1 Q92918 1/20 0.35
AURKB Q96GD4 1/20 0.35
EIF2AK1 Q9BQI3 1/20 0.35
MAP3K20 Q9NYL2 1/20 0.35
STK26 Q9P289 1/20 0.35
TNIK Q9UKE5 1/20 0.35

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
SCHEMBL4435851 0.91 FGFR2 (0.39) FGFR2RETFGFR1NTRK1PDGFRB
SCHEMBL64686 0.90 FGFR2 (0.45) FGFR2RETFGFR1NTRK1PDGFRB
SCHEMBL65605 0.88 FGFR2 (0.38) FGFR2RETFGFR1NTRK1PDGFRB
SCHEMBL64739 0.83 FGFR1 (0.39) FGFR2RETFGFR1NTRK1PDGFRB
Hydrochloric Acid SCHEMBL4566202 0.82 FGFR1 (0.38) FGFR2RETFGFR1NTRK1PDGFRB
Hydrochloric Acid SCHEMBL4566200 0.82 CCNC (0.39) FGFR2RETFGFR1NTRK1PDGFRB
SCHEMBL65470 0.81 FGFR1 (0.41) FGFR2RETFGFR1NTRK1PDGFRB
SCHEMBL64180 0.80 FGFR2 (0.40) FGFR2RETFGFR1NTRK1PDGFRB
SCHEMBL64244 0.80 FGFR3 (0.44) FGFR2RETFGFR1NTRK1PDGFRB
SCHEMBL64219 0.80 FGFR1 (0.52) FGFR2RETFGFR1NTRK1PDGFRB

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
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO 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 AAK1 3378/4885FGFR2 688/4885RET 2114/4885
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 AAK1 2842/4885FGFR2 939/4885RET 1493/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 AAK1 2292/4885FGFR2 755/4885RET 2006/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 AAK1 1920/4885FGFR2 603/4885RET 2163/4885
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 AAK1 2842/4885FGFR2 939/4885RET 1493/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 AAK1 2292/4885FGFR2 755/4885RET 2006/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 AAK1 2292/4885FGFR2 755/4885RET 2006/4885

“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.