SCHEMBL64979

SCHEMBL64979

COc1cc(CCc2cc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)[nH]n2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
FGFR1 P11362 2/20 0.39
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX3 P56373 1/20 0.38
HTT P42858 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
TLR9 Q9NR96 1/20 0.37
NTRK1 P04629 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
MARK3 P27448 1/20 0.37
TNK2 Q07912 1/20 0.37
DDR1 Q08345 1/20 0.37
MAP4K2 Q12851 1/20 0.37

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
SCHEMBL1860833 0.90 FGFR1 (0.38) SMN1; SMN2MAPTLMNAFGFR1P2RX3
SCHEMBL64314 0.88 FGFR1 (0.49) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL1862447 0.82 FGFR1 (0.38) SMN1; SMN2MAPTLMNAFGFR1ALDH1A1
SCHEMBL63028 0.73 FGFR1 (0.55) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL65013 0.73 FGFR1 (0.54) SMN1; SMN2MAPTFGFR1ALDH1A1NTRK1
SCHEMBL65092 0.71 FGFR1 (0.54) MAPTFGFR1NTRK1RETPDGFRB
SCHEMBL63438 0.71 FGFR3 (0.46) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL63589 0.71 NR1H2 (0.48) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL24669648 0.71 MAPT (0.60) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL29687915 0.70 FGFR1 (0.51) SMN1; SMN2MAPTLMNAFGFR1ALDH1A1

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 12 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
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 SMN1; SMN2 1190/4885MAPT 2665/4885LMNA 2866/4885
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 SMN1; SMN2 542/4885MAPT 4043/4885LMNA 1590/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SMN1; SMN2 1841/4885MAPT 3418/4885LMNA 3279/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 2353/4885MAPT 3682/4885LMNA 3115/4885
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 SMN1; SMN2 542/4885MAPT 4043/4885LMNA 1590/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SMN1; SMN2 1841/4885MAPT 3418/4885LMNA 3279/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SMN1; SMN2 1841/4885MAPT 3418/4885LMNA 3279/4885

“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.