SCHEMBL63446

SCHEMBL63446

COC(=O)c1ccc(-n2cncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
POLB P06746 1/20 0.58
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP2D6 P10635 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
FGFR1 P11362 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL20907615 0.83 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4HTT
SCHEMBL5734578 0.83 MAPT (0.62) CYP1A2CYP2C9CYP2C19CYP3A4POLB
SCHEMBL5869031 0.82 TP53 (0.64) CYP1A2CYP2C9CYP2C19CYP3A4POLB
SCHEMBL7378354 0.82 SMYD3 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4POLB
SCHEMBL3358083 0.81 KCNJ1 (0.57) CYP1A2CYP2C9CYP2C19CYP3A4HTT
SCHEMBL28755979 0.81 SMN1; SMN2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4HTT
SCHEMBL8176397 0.81 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19CYP3A4POLB
SCHEMBL7382895 0.80 GPR119 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4POLB
SCHEMBL327641 0.80 SMN1; SMN2 (0.58) CYP1A2CYP2C9CYP2C19POLBHTT
SCHEMBL26971044 0.79 MAPT (0.65) CYP1A2CYP2C9CYP2C19CYP3A4POLB

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 CYP1A2 95/4885CYP2C9 62/4885CYP2C19 64/4885
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 CYP1A2 58/4885CYP2C9 127/4885CYP2C19 132/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CYP1A2 530/4885CYP2C9 1109/4885CYP2C19 761/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 754/4885CYP2C9 722/4885CYP2C19 844/4885
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 CYP1A2 58/4885CYP2C9 127/4885CYP2C19 132/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CYP1A2 530/4885CYP2C9 1109/4885CYP2C19 761/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CYP1A2 530/4885CYP2C9 1109/4885CYP2C19 761/4885

“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.