SCHEMBL64105

SCHEMBL64105

CCN1CCN(c2ccc(C(=O)Nc3cc(OCc4cc(OC)cc(OC)c4)n[nH]3)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
FGFR1 P11362 2/20 0.41
CHRM1 P11229 2/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
RAD52 P43351 1/20 0.40
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MCHR1 Q99705 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
FGFR2 P21802 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL63950 0.92 FGFR1 (0.48) KMT2AMEN1FGFR1MAPTALDH1A1
SCHEMBL62310 0.87 FGFR1 (0.39) KMT2AMEN1FGFR1HPGDALDH1A1
SCHEMBL64602 0.86 FGFR1 (0.45) FGFR1MCHR1FGFR2
SCHEMBL64245 0.85 FGFR2 (0.39) KMT2AMEN1FGFR1ALDH1A1FGFR2
SCHEMBL65156 0.84 HRH3 (0.39) KMT2AMEN1FGFR1HPGDALDH1A1
SCHEMBL63258 0.83 FGFR1 (0.51) KMT2AFGFR1CHRM1MAPTTP53
SCHEMBL64314 0.78 FGFR1 (0.49) FGFR1FGFR2
SCHEMBL63375 0.77 FGFR1 (0.41) KMT2AMEN1FGFR1ALDH1A1FGFR2
SCHEMBL65041 0.76 NPC1 (0.55) KMT2AMEN1FGFR1MAPTHPGD
SCHEMBL62632 0.75 FGFR1 (0.46) FGFR1FGFR2

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 17 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
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 KMT2A 2391/4885MEN1 13/4885FGFR1 333/4885
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 KMT2A 602/4885MEN1 136/4885FGFR1 823/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 KMT2A 3318/4885MEN1 63/4885FGFR1 238/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 1086/4885MEN1 507/4885FGFR1 168/4885
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 KMT2A 602/4885MEN1 136/4885FGFR1 823/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 KMT2A 3318/4885MEN1 63/4885FGFR1 238/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 KMT2A 3318/4885MEN1 63/4885FGFR1 238/4885

“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.