Sugi Predict

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SCHEMBL64685

SCHEMBL64685

COc1cc(COc2cc(NC(=O)c3cccc(N4CCNCC4)c3)n[nH]2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ WNT1 P04628 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ NTRK1 P04629 1/20 0.44
▸ RET P07949 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ MARK3 P27448 1/20 0.44
▸ TNK2 Q07912 1/20 0.44
▸ DDR1 Q08345 1/20 0.44
▸ MAP4K2 Q12851 1/20 0.44
▸ MAP3K11 Q16584 1/20 0.44
▸ DDR2 Q16832 1/20 0.44
▸ MARK2 Q7KZI7 1/20 0.44
▸ MAP4K3 Q8IVH8 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44

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
SCHEMBL63784 0.92 NTRK1 (0.40) MAPTTSHRALOX15WNT1GSK3B
SCHEMBL63300 0.87 FGFR1 (0.51) MAPTTSHRALOX15NTRK1RET
Hydrochloric Acid SCHEMBL64171 0.86 FGFR1 (0.51) MAPTALOX15NTRK1RETPDGFRB
SCHEMBL4553599 0.81 FGFR1 (0.44) NTRK1RETPDGFRBFGFR1MARK3
SCHEMBL64250 0.76 HDAC3 (0.45) MAPTNTRK1RETPDGFRBFGFR1
SCHEMBL63624 0.76 FGFR1 (0.65) TSHRNTRK1RETPDGFRBFGFR1
SCHEMBL64066 0.75 FGFR1 (0.75) NTRK1RETPDGFRBFGFR1MARK3
SCHEMBL63750 0.71 FGFR1 (0.61) DYRK1ANTRK1RETPDGFRBFGFR1
SCHEMBL1335512 0.70 KIT (0.64) MAPTNTRK1FLT3HPGDHTT
Hydrochloric Acid SCHEMBL1336525 0.69 KIT (0.63) MAPTNTRK1FLT3HPGDHTT

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
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 MAPT 2665/4885TSHR 3669/4885ALOX15 1560/4885
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 MAPT 4043/4885TSHR 3921/4885ALOX15 2979/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 MAPT 3418/4885TSHR 4034/4885ALOX15 1920/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAPT 3682/4885TSHR 3013/4885ALOX15 3248/4885
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 MAPT 4043/4885TSHR 3921/4885ALOX15 2979/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 MAPT 3418/4885TSHR 4034/4885ALOX15 1920/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 MAPT 3418/4885TSHR 4034/4885ALOX15 1920/4885

“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.