SCHEMBL64895

SCHEMBL64895

CCOC(=O)c1ccc(N2CCCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
SIRT2 Q8IXJ6 2/20 0.51
SIRT1 Q96EB6 2/20 0.51
ALDH1A1 P00352 6/20 0.50
TSHR P16473 3/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADRB1 P08588 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 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
SCHEMBL62795 0.94 HPGD (0.56) HPGDHTTSIRT2SIRT1ALDH1A1
Hydrochloric Acid SCHEMBL7313025 0.93 HPGD (0.55) HPGDHTTSIRT2SIRT1ALDH1A1
Hydrochloric Acid SCHEMBL9742136 0.93 HPGD (0.55) HPGDHTTSIRT2SIRT1ALDH1A1
Bromide SCHEMBL15106751 0.93 HPGD (0.55) HPGDHTTSIRT2SIRT1ALDH1A1
SCHEMBL3898465 0.87 HPGD (0.61) HPGDHTTSIRT2SIRT1ALDH1A1
SCHEMBL28242074 0.87 HPGD (0.61) HPGDHTTSIRT2SIRT1ALDH1A1
SCHEMBL3900474 0.86 SIRT2 (0.60) HPGDHTTSIRT2SIRT1ALDH1A1
SCHEMBL20187714 0.86 HPGD (0.59) HPGDHTTSIRT2SIRT1ALDH1A1
SCHEMBL20188098 0.84 HPGD (0.65) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL22015905 0.84 HPGD (0.65) HPGDHTTALDH1A1TSHRMEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677341-B Bicyclic pyridine compositions and methods for their use in cancer treatment 南卡罗莱纳大学 2024-07-05 CN disclosed
WO-2023081452-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 UNIVERSITY OF SOUTH CAROLINA (US) 2023-05-11 WO disclosed
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy UNIVERSITY OF SOUTH CAROLINA (US) 2023-02-07 US disclosed
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy UNIVERSITY OF SOUTH CAROLINA (US) 2023-02-07 US disclosed
US-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA 2022-05-05 US disclosed
US-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA 2022-05-05 US disclosed
EP-3917523-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY University of South Carolina (US) 2021-12-08 EP disclosed
CN-113677341-A Bicyclic pyridine compositions and methods of use for cancer treatment 南卡罗莱纳大学 2021-11-19 CN disclosed
WO-2020160537-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA (US) 2020-08-06 WO disclosed
WO-2020160537-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA (US) 2020-08-06 WO 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
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP 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 (5 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-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 HPGD 1000/4885HTT 4466/4885SIRT2 975/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HPGD 185/4885HTT 2923/4885SIRT2 64/4885
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 HPGD 1000/4885HTT 4466/4885SIRT2 975/4885
US-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY DPYD, TK2, TYMP HPGD 160/4885HTT 3887/4885SIRT2 285/4885
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy DPYD, TK2, TYMP HPGD 160/4885HTT 3887/4885SIRT2 285/4885

“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.