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SCHEMBL62554

SCHEMBL62554

COc1cccc(CCc2cc(NC(=O)c3ccc(OC)nc3)[nH]n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.47
▸ ROCK1 Q13464 4/20 0.44
▸ ROCK2 O75116 3/20 0.44
▸ NR3C2 P08235 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ GRK5 P34947 1/20 0.41
▸ PRKX P51817 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ VNN1 O95497 1/20 0.41

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
SCHEMBL1859162 0.93 ABCB1 (0.44) ABCB1ROCK1ROCK2NR3C2HDAC1
SCHEMBL1856714 0.93 ABCB1 (0.44) ABCB1ROCK1ROCK2NR3C2KMT2A
SCHEMBL64112 0.93 ABCB1 (0.44) ABCB1ROCK1ROCK2NR3C2HDAC1
SCHEMBL65150 0.90 ABCB1 (0.49) ABCB1ROCK1ROCK2NR3C2HDAC1
SCHEMBL62361 0.90 ABCB1 (0.47) ABCB1ROCK1ROCK2NR3C2HDAC1
SCHEMBL64118 0.90 KCNQ3 (0.52) ABCB1ROCK1ROCK2NR3C2MEN1
SCHEMBL1852989 0.90 ABCB1 (0.42) ABCB1ROCK1ROCK2NR3C2KMT2A
SCHEMBL64528 0.89 P4HTM (0.53) ABCB1ROCK1ROCK2NR3C2MEN1
SCHEMBL64697 0.89 ABCB1 (0.46) ABCB1ROCK1ROCK2NR3C2MEN1
SCHEMBL1853874 0.88 ABCB1 (0.45) ABCB1ROCK1ROCK2NR3C2MEN1

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 13 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
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 ABCB1 41/4885ROCK1 1184/4885ROCK2 3357/4885
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 ABCB1 97/4885ROCK1 1934/4885ROCK2 3011/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ABCB1 32/4885ROCK1 482/4885ROCK2 1796/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ABCB1 134/4885ROCK1 1964/4885ROCK2 3508/4885
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 ABCB1 97/4885ROCK1 1934/4885ROCK2 3011/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ABCB1 32/4885ROCK1 482/4885ROCK2 1796/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ABCB1 32/4885ROCK1 482/4885ROCK2 1796/4885

“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.